CXCR

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  1. ML 145
    CAS: 1164500-72-4 Formula: C24H22N2O5S2 Molecular Weight: 482.57
    ◐ .Made to order · 8–12 wks Item #: M287781
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    IUPAC Name
    2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
    SMILES
    CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O
    InChIKey
    COFMYJWNXSFLKQ-QIROLCGISA-N
    InChI
    1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1show more
    Synonyms
    2-Hydroxy-4-[4-(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamin...
  2. Reparixin, Interleukin-8 receptor B modulator
    CAS: 266359-83-5 EC Number: 691-864-3 PubChem CID: 9838712 Formula: C14H21NO3S Molecular Weight: 283.39
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: R126706
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    IUPAC Name
    (2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
    SMILES
    CC(C)CC1=CC=C(C=C1)C(C)C(=O)NS(=O)(=O)C
    InChIKey
    KQDRVXQXKZXMHP-LLVKDONJSA-N
    InChI
    1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
    Synonyms
    [D-Pen2,5]Enkephalin | Repertaxin;DF 1681Y | DTXSID6046509 | L-Arginyl-Glycyl-L-Aspartic acid | Bio1_000853 | HY-1525...
  3. SB 332235
    CAS: 276702-15-9 PubChem CID: 9887803 Formula: C13H10Cl3N3O4S Molecular Weight: 410.66
    ◐ .Made to order · 8–12 wks Item #: S287226
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    IUPAC Name
    1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea
    SMILES
    C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O
    InChIKey
    WTLRWOHEKQGKDS-UHFFFAOYSA-N
    InChI
    1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
    Synonyms
    6-chloro-3-(3-(2,3-dichlorophenyl)ureido)-2-hydroxybenzenesulfonamide | N-(4-Chloro-2-hydroxy-3-aminosulfonylphenyl)-...
  4. Nicotinamide N-Oxide
    CAS: 1986-81-8 EC Number: 217-859-4 Formula: C6H6N2O2 Molecular Weight: 138.12
    ● In Stock — US warehouse, ships to EU* Item #: N123035
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    IUPAC Name
    1-oxidopyridin-1-ium-3-carboxamide
    SMILES
    C1=CC(=C[N+](=C1)[O-])C(=O)N
    InChIKey
    USSFUVKEHXDAPM-UHFFFAOYSA-N
    InChI
    1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)
    Synonyms
    3-Pyridinecarboxamide, 1-oxide | Nicotinamide N-oxide | InChI=1/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9) | Nic...
  5. SRT3190
    CAS: 1204707-73-2 PubChem CID: 59149652 Formula: C18H23F2N5O4S2 Molecular Weight: 475.54
    ◐ .Made to order · 8–12 wks Item #: S128077
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    IUPAC Name
    N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
    SMILES
    CC(C(CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3
    InChIKey
    QVKPEMXUBULFBM-FZMZJTMJSA-N
    InChI
    1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3show more
    Synonyms
    AKOS030526316 | MS-28821 | 1204707-73-2 | N-(2-{[(2,3-Difluorophenyl)methyl]sulfanyl}-6-{[(2S,3R)-3,4-dihydroxybutan-...
  6. VUF 11222
    CAS: 1414376-84-3 PubChem CID: 71459294 Formula: C25H31BrIN Molecular Weight: 552.33
    ● In Stock — US warehouse, ships to EU* Item #: V288506
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    IUPAC Name
    [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium;iodide
    SMILES
    CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4Br)C.[I-]
    InChIKey
    IXXWHYDKYNWDKJ-IUQUCOCYSA-M
    InChI
    1S/C25H31BrN.HI/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26;/h5-13,21,23H,14-17H2,1-4H3;1H/q+1;/p-1/t21-,23-;show more
    Synonyms
    2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminium io...
  7. VUF11207 trifluoroacetate salt
    CAS: 1378524-41-4 PubChem CID: 59052285 Formula: C27H35FN2O4 Molecular Weight: 470.6
    ◐ .Made to order · 8–12 wks Item #: V167133
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    IUPAC Name
    N-[(E)-3-(2-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
    SMILES
    CC(=CC1=CC=CC=C1F)CN(CCC2CCCN2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
    InChIKey
    JVRRRKAXHMGUHZ-XDJHFCHBSA-N
    InChI
    1S/C27H35FN2O4/c1-19(15-20-9-6-7-11-23(20)28)18-30(14-12-22-10-8-13-29(22)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6-7,9,11,15-17,22H,8,10,12-14,1show more
    Synonyms
    1378524-41-4|(E)-N-(3-(2-fluorophenyl)-2-methylallyl)-3,4,5-trimethoxy-N-(2-(1-methylpyrrolidin-2-yl)ethyl)benzamide|...
  8. Mavorixafor, C-X-C chemokine receptor type 4 antagonist
    CAS: 558447-26-0 Formula: C21H27N5 Molecular Weight: 349.47
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ◐ .Made to order · 8–12 wks Item #: A125560
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    IUPAC Name
    N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
    SMILES
    C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
    InChIKey
    WVLHHLRVNDMIAR-IBGZPJMESA-N
    InChI
    1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-show more
    Synonyms
    BDBM50315305 | N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine | N-(1H-be...
  9. Plerixafor, C-X-C chemokine receptor type 4 partial agonist
    CAS: 110078-46-1 EC Number: 842-163-8 Formula: C28H54N8 Molecular Weight: 502.78
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: P128026
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    IUPAC Name
    1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
    SMILES
    C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
    InChIKey
    YIQPUIGJQJDJOS-UHFFFAOYSA-N
    InChI
    1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
    Synonyms
    AMD 3100 | BDBM50035696 | DTXCID60817494 | FT-0673966 | GNA & AMD-3100 | SR-01000941593 | FT-0660392 | plerixaforum |...
  10. Kynurenic Acid-d5
    CAS: 350820-13-2 EC Number: 690-354-8 Formula: C10H2D5NO3 Molecular Weight: 194.20
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%,≥98atom%D
    ● In Stock — US warehouse, ships to EU* Item #: K331381
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    IUPAC Name
    3,5,6,7,8-pentadeuterio-4-hydroxyquinoline-2-carboxylic acid
    SMILES
    C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)O
    InChIKey
    HCZHHEIFKROPDY-RALIUCGRSA-N
    InChI
    1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
    Synonyms
    3,5,6,7,8-pentadeuterio-4-oxo-1H-quinoline-2-carboxylic acid | F91075 | Kynurenic acid-3,5,6,7,8-d5, 98 atom % D | 3,...
  11. Plerixafor 8HCl (AMD3100 8HCl)
    CAS: 155148-31-5 EC Number: 828-184-5 PubChem CID: 65014 Formula: C28H54N8·8HCl Molecular Weight: 794.47
    ● In Stock — US warehouse, ships to EU* Item #: P129846
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    IUPAC Name
    1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochloride
    SMILES
    C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl
    InChIKey
    UEUPDYPUTTUXLJ-UHFFFAOYSA-N
    InChI
    1S/C28H54N8.8ClH/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;/h5-8,29-34H,1-4,9show more
    Synonyms
    155148-31-5 (HCl) | Plerixafor hydrochloride | AMD3100 octahydrochloride hydrate | DTXSID20935148 | 1,1'-[1,4-Phenyle...
  12. AMD 3465 hexahydrobromide
    CAS: 185991-07-5 PubChem CID: 9897616 Formula: C24H38N5 · 6HBr Molecular Weight: 896.07
    ● In Stock — US warehouse, ships to EU* Item #: A274943
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    IUPAC Name
    N-(pyridin-2-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine;hexahydrobromide
    SMILES
    C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br
    InChIKey
    ARHBIBDGWDRBJH-UHFFFAOYSA-N
    InChI
    1S/C24H38N6.6BrH/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30;;;;;;/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2;show more
    Synonyms
    N-[[4-(1,4,8,11-Tetraazacyclotetradec-1-ylmethyl)phenyl]methyl]-2-pyridinemethanaminehexahydrobromide | GENZ-644494 h...
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Frequently Asked Questions

How is the CXCR listing put together?
It draws on reported CXCR annotations within Immunology/Inflammation and lists each compound with its structure, identifiers, and the activity published for it. Always check the underlying assay before comparing potency values across entries.
How do I choose a CXCR modulator for my assay?
Start from the assay format and readout — biochemical, cell-based, or in vivo — then compare the CXCR entries on potency, selectivity over related family members, and solubility in your vehicle. Where several chemotypes are available, a reference compound plus a structurally unrelated backup is the usual way to control for off-target effects.
Which specifications matter most for CXCR compounds?
Purity and identity confirmation come first, then solubility in DMSO or your chosen vehicle, recommended storage temperature, and stability in solution. For CXCR work in particular, freshly prepared stocks avoid most of the reproducibility problems seen with stored plates. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
What if the CXCR compound I need is not listed?
Search by CAS number or SMILES first, since analogs of CXCR compounds are often catalogued under a related target. Custom synthesis and bulk enquiries go to [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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