Organic Building Blocks

Source organic building blocks for synthesis, route scouting, and lead optimization. This page helps you find starting materials and intermediates across a broad range of functional groups and scaffolds.

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💊 Medicinal Chemistry 🧩 Fragment-Based Design 🗺 Route Scouting 📚 Library Synthesis 🎯 Lead Optimization 📊 SAR Studies

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1,3-Cyclohexanedione
CAS: 504-02-9 EC Number: 207-980-0 Formula: C₆H₈O₂ Molecular Weight: 112.13

≥97%

In Stock Item #: C106972

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Technical Identifiers

IUPAC Name

cyclohexane-1,3-dione

SMILES

C1CC(=O)CC(=O)C1

InChIKey
HJSLFCCWAKVHIW-UHFFFAOYSA-N

InChI

1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2

Synonyms
F0001-1313 | Hydroresorcinol | NSC57477 | NSC-57477 | EC 207-980-0 | 6UK3D2BXJT | STL145900 | UNII-6UK3D2BXJT | BDBM2...
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1,3-Cyclopentanedione
CAS: 3859-41-4 EC Number: 223-372-8 Formula: C₅H₆(=O)₂ Molecular Weight: 98.1

≥98%

In Stock Item #: C138777

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Technical Identifiers

IUPAC Name

cyclopentane-1,3-dione

SMILES

C1CC(=O)CC1=O

InChIKey
LOGSONSNCYTHPS-UHFFFAOYSA-N

InChI

1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2

Synonyms
p-Chlorophenylhydrazine | cyclopentane-1,3-quinone | FT-0606601 | BBL011146 | NSC364015 | NSC-364015 | AKOS000278923 ...
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(S)-(-)-1-Boc-2-pyrrolidinecarbonitrile
CAS: 228244-04-0 Formula: C₁₀H₁₆N₂O₂ Molecular Weight: 196.25

≥97%

In Stock Item #: B119264

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IUPAC Name

tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate

SMILES

CC(C)(C)OC(=O)N1CCCC1C#N

InChIKey
MDMSZBHMBCNYNO-QMMMGPOBSA-N

InChI

1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3/t8-/m0/s1

Synonyms
(S)-1-Boc-2-pyrrolidinecarbonitrile | Ald3-H_000013 | (R)-N-BOC-2-pyrrolidinonitrile | tert-butyl(2S)-2-cyano-1-pyrro...
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1-Tosylpiperidine-4-carboxylic acid
CAS: 147636-36-0 PubChem CID: 737840 Formula: C₁₃H₁₇NO₄S Molecular Weight: 283.34

Solid ≥95%

In Stock Item #: T191012

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IUPAC Name

1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

InChIKey
YJRQMKSUAIKDDF-UHFFFAOYSA-N

InChI

1S/C13H17NO4S/c1-10-2-4-12(5-3-10)19(17,18)14-8-6-11(7-9-14)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)

Synonyms
1-[(4-Methylphenyl)sulfonyl]-4-piperidinecarboxylic acid | 4R-1329 | A808671 | BBL001479 | BIM-0005781.P001 | Oprea1_...
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1-Thioglycerol
CAS: 96-27-5 PubChem CID: 7291 Formula: C₃H₈O₂S Molecular Weight: 108.16

≥95%

In Stock Item #: T109440

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IUPAC Name

3-sulfanylpropane-1,2-diol

SMILES

C(C(CS)O)O

InChIKey
PJUIMOJAAPLTRJ-UHFFFAOYSA-N

InChI

1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2

Synonyms
NCGC00260427-01 | 1,2-Propanediol, 3-mercapto- | HSDB 2184 | D92320 | 2,3-Dihydroxypropanethiol | 3-Mercapto-1,2-prop...
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1-Triacontanol
CAS: 593-50-0 EC Number: 209-794-5 PubChem CID: 68972 Formula: C₃₀H₆₂O Molecular Weight: 438.81

≥85%

In Stock Item #: T113181

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IUPAC Name

triacontan-1-ol

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChIKey
REZQBEBOWJAQKS-UHFFFAOYSA-N

InChI

1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3

Synonyms
1-?Triacontanol | Melissyl alcohol | Myricyl alcohol | FT-0608318 | NSC402492 | NSC-402492 | Q4860821 | Well-Bloom | ...
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1-Vinyl-2-pyrrolidone（NVP）
CAS: 88-12-0 EC Number: 201-800-4 Formula: C₆H₉NO Molecular Weight: 111.14

≥99% contains 100 ppm sodium hydroxide as inhibitor

In Stock Item #: V106155

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IUPAC Name

1-ethenylpyrrolidin-2-one

SMILES

C=CN1CCCC1=O

InChIKey
WHNWPMSKXPGLAX-UHFFFAOYSA-N

InChI

1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2

Synonyms
143 RP | N-vinyl pyrrolidin-2-one | 1-Vinyl-2-pyrrolidinone, SAJ first grade, >=99.0% | BRN 0110513 | EN300-19745 | J...
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1-Tridecene
CAS: 2437-56-1 PubChem CID: 17095 Formula: C₁₃H₂₆ Molecular Weight: 182.35

≥97%(GC)

In Stock Item #: T162364

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IUPAC Name

tridec-1-ene

SMILES

CCCCCCCCCCCC=C

InChIKey
VQOXUMQBYILCKR-UHFFFAOYSA-N

InChI

1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3

Synonyms
1-TRIDECENE | 1-Tridecene, 96% | N-(2-AMINOETHYL)-N-METHYL-N-PHENYLAMINEDIHYDROCHLORIDE | T0637 | alpha-Tridecene | 4...
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1-Undecene
CAS: 821-95-4 Formula: C₁₁H₂₂ Molecular Weight: 154.30

≥98%(GC)

In Stock Item #: U162903

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IUPAC Name

undec-1-ene

SMILES

CCCCCCCCCC=C

InChIKey
DCTOHCCUXLBQMS-UHFFFAOYSA-N

InChI

1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3

Synonyms
AKOS009156849 | U0025 | FT-0608327 | .ALPHA.-UNDECYLENE | .alpha.-Undecene | LS-14020 | DTXCID0048268 | N-NONYLETHYLE...
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1-[4-(Trifluoromethyl)pyrimid-2-yl]homopiperazine
CAS: 238403-48-0 PubChem CID: 2782067 Formula: C₁₀H₁₃F₃N₄ Molecular Weight: 246.24

≥97%

Out of Stock Item #: T300618

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IUPAC Name

1-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane

SMILES

C1CNCCN(C1)C2=NC=CC(=N2)C(F)(F)F

InChIKey
XVAZHAVSZFQOOQ-UHFFFAOYSA-N

InChI

1S/C10H13F3N4/c11-10(12,13)8-2-4-15-9(16-8)17-6-1-3-14-5-7-17/h2,4,14H,1,3,5-7H2

Synonyms
SCHEMBL2005654 | 1-[4-(Trifluoromethyl)pyrimid-2-yl]homopiperazine | Maybridge1_000269 | F30178 | SB58256 | MFCD00728...
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4-tert-Butoxyaniline
CAS: 57120-36-2 EC Number: 839-325-5 Formula: C₁₀H₁₅NO Molecular Weight: 165.23

Solid ≥97%

Out of Stock Item #: I171037

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IUPAC Name

4-[(2-methylpropan-2-yl)oxy]aniline

SMILES

CC(C)(C)OC1=CC=C(C=C1)N

InChIKey
NJLJXOXRYXXBOF-UHFFFAOYSA-N

InChI

1S/C10H15NO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,11H2,1-3H3

Synonyms
4-TERT-BUTOXYANILINE | SCHEMBL292991 | 4-(tert-Butoxy)aniline | SB76313 | Z362795876 | DTXSID80457179 | MFCD11196184 ...
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Glutaronitrile
CAS: 544-13-8 EC Number: 208-861-6 Formula: C₅H₆N₂ Molecular Weight: 94.12

Liquid ≥96%(GC)

In Stock Item #: G156831

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Technical Identifiers

IUPAC Name

pentanedinitrile

SMILES

C(CC#N)CC#N

InChIKey
ZTOMUSMDRMJOTH-UHFFFAOYSA-N

InChI

1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

Synonyms
G0072 | EINECS 208-861-6 | A843532 | 01ZI68F3CQ | DTXSID6060266 | EN300-300474 | F0001-1431 | Glutaronitrile, 99% | W...

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Organic building blocks provide starting materials and intermediates for route scouting, analog synthesis, and library expansion across many chemistry programs. Common comparison points include scaffold class, functional group pattern, stereochemistry, protecting groups, reagent compatibility, and how directly the building block fits the next synthetic step. Use this category as a broad entry point when you want to compare multiple scaffold families before narrowing further. It works well alongside more specialized building block pages such as fluorinated or heterocyclic collections.