G118-2082 Screening compound: N~5~-(4-bromo-3-methylphenyl)-4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-2082 Screening compound: N~5~-(4-bromo-3-methylphenyl)-4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-2082 Screening compound: N~5~-(4-bromo-3-methylphenyl)-4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-2082
N~5~-(4-bromo-3-methylphenyl)-4-(2-methylphenyl)-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

G118-2082

Molecular Formula

C27H24BrN3O (C27 H24 BrN3 O)

Compound Name

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

IUPAC name

N-(4-bromo-3-methylphenyl)-7-(2-methylphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

Cc1c(C(c2cccn2-c2c(C3)cccc2)N3C(Nc(cc2)cc(C)c2Br)=O)cccc1

InChI

InChI=1S/C27H24BrN3O/c1-18-8-3-5-10-22(18)26-25-12-7-15-30(25)24-11-6-4-9-20(24)17-31(26)27(32)29-21-13-14-23(28)19(2)16-21/h3-16,26H,17H2,1-2H3,(H,29,32)/t26-/m1/s1

InChI Key

KSDMHLYWCNMLCZ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14981763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.366

Distribution Coefficient, logD

7.366

Water Solubility, LogSw

-5.56

Polar Surface Area

26.571

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

G118-2082 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G118-2082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-2082?
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What is the minimum amount of G118-2082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-2082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-2082
  • 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 G118-2082 available by request