G118-1967 Screening compound: 4-(3-chlorophenyl)-N~5~-isopentyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-1967 Screening compound: 4-(3-chlorophenyl)-N~5~-isopentyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-1967 Screening compound: 4-(3-chlorophenyl)-N~5~-isopentyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-1967
4-(3-chlorophenyl)-N~5~-isopentyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G118-1967

Molecular Formula

C24H26ClN3O (C24 H26 ClN3 O)

Compound Name

4-(3-chlorophenyl)-N~5~-isopentyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

7-(3-chlorophenyl)-N-(3-methylbutyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

CC(C)CCNC(N(Cc(cccc1)c1-n1c2ccc1)C2c1cccc(Cl)c1)=O

InChI

InChI=1S/C24H26ClN3O/c1-17(2)12-13-26-24(29)28-16-19-7-3-4-10-21(19)27-14-6-11-22(27)23(28)18-8-5-9-20(25)15-18/h3-11,14-15,17,23H,12-13,16H2,1-2H3,(H,26,29)/t23-/m1/s1

InChI Key

IHVBGIUZRAJUGL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14981695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.94

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.635

Distribution Coefficient, logD

6.635

Water Solubility, LogSw

-6.26

Polar Surface Area

28.006

Acid Dissociation Constant (pKa)

16.50

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

G118-1967 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G118-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G118-1967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-1967
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G118-1967 available by request