G118-1820 Screening compound: N~5~-(2,5-dimethoxyphenyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-1820 Screening compound: N~5~-(2,5-dimethoxyphenyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-1820 Screening compound: N~5~-(2,5-dimethoxyphenyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-1820
N~5~-(2,5-dimethoxyphenyl)-4-(3-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

G118-1820

Molecular Formula

C28H27N3O3 (C28 H27 N3 O3)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-7-(3-methylphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

Cc1cccc(C(c2cccn2-c2c(C3)cccc2)N3C(Nc(cc(cc2)OC)c2OC)=O)c1

InChI

InChI=1S/C28H27N3O3/c1-19-8-6-10-20(16-19)27-25-12-7-15-30(25)24-11-5-4-9-21(24)18-31(27)28(32)29-23-17-22(33-2)13-14-26(23)34-3/h4-17,27H,18H2,1-3H3,(H,29,32)/t27-/m1/s1

InChI Key

WNINHKXDVDFXQB-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD27209805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.378

Distribution Coefficient, logD

6.378

Water Solubility, LogSw

-5.58

Polar Surface Area

41.047

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

G118-1820 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G118-1820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-1820?
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What is the minimum amount of G118-1820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-1820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-1820
  • 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 G118-1820 available by request