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RO4938581 - Moligand™ , Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α5 subunit, CAS No.R613248, Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α5 subunit

CAS: R613248 Cat. No.: R613248 PubChem CID: 11624499
COA
RO4938581 - Moligand™ , Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α5 subunit, CAS No.R613248, Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α5 subunit
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
J-690380 | ZK5NA2M82J | 3-Bromo-10-(difluoromethyl)-9H-imidazo(1,5-a)(1,2,4)triazolo(1,5-d)(1,4)benzodiazepine | AFJRYPJIKHMNGL-UHFFFAOYSA-N | 15-bromo-5-(difluoromethyl)-2,4,8,9,11-pentaazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16
Storage
Room temperature
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Size
Status
Price
Qty
5mg
R613248-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
R613248-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,199.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
J-690380 | ZK5NA2M82J | 3-Bromo-10-(difluoromethyl)-9H-imidazo(1, 5-a)(1, 2, 4)triazolo(1, 5-d)(1, 4)benzodiazepine | AFJRYPJIKHMNGL-UHFFFAOYSA-N | 15-bromo-5-(difluoromethyl)-2, 4, 8, 9, 11-pentaazatetracyclo[11.4.0.0^{2, 6}.0^{8, 12}]heptadeca-1(13), 3, 5, 9, 11, 14, 16
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α5 subunit
Names and Identifiers
Canonical SmilesBrc1ccc2c(c1)c1ncnn1Cc1n2cnc1C(F)F
IUPAC Name15-bromo-5-(difluoromethyl)-2,4,8,9,11-pentaazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(17),3,5,9,11,13,15-heptaene
InChIKeyAFJRYPJIKHMNGL-UHFFFAOYSA-N
INCHI1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2
Isomeric SMILES C1C2=C(N=CN2C3=C(C=C(C=C3)Br)C4=NC=NN41)C(F)F
PubChem CID 11624499

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzodiazepines
Subclass1,4-benzodiazepines
Intermediate Tree Nodes Not available
Direct ParentImidazo[1,5-a][1,4]benzodiazepines
Alternative Parents 1,4-diazepines  N-substituted imidazoles  Benzenoids  Aryl bromides  Triazoles  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organofluorides  Organobromides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Imidazo[1,5-a][1,4]benzodiazepine - Para-diazepine - Aryl bromide - Aryl halide - N-substituted imidazole - Benzenoid - 1,2,4-triazole - Imidazole - Azole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing one nitrogen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GABRA1 Tclin Gamma-aminobutyric acid receptor subunit alpha-1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GABRA3 Tclin Gamma-aminobutyric acid receptor subunit alpha-3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GABRA5 Tclin Gamma-aminobutyric acid receptor subunit alpha-5 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GABRA2 Tclin Gamma-aminobutyric acid receptor subunit alpha-2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA5 Tclin GABA receptor alpha-5 subunit (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA3 Tclin GABA receptor alpha-3 subunit (187 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA2 Tclin GABA receptor alpha-2 subunit (271 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-3/beta-3/gamma-2 (1250 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA1 Tclin GABA-A receptor; alpha-1/beta-3/gamma-2 (1565 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-5/beta-3/gamma-2 (1334 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-2/beta-3/gamma-2 (949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRB2 Tclin GABA A receptor alpha-2/beta-2/gamma-2 (194 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gabrg2 GABA-A receptor; alpha-1/beta-2/gamma-2 (554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight352.140 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass350.993 Da
Monoisotopic Mass350.993 Da
Topological Polar Surface Area48.500 Ų
Heavy Atom Count21
Formal Charge0
Complexity401.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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