G118-1029 Screening compound: N~5~-(4-methoxyphenyl)-4-(2-thienyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-1029 Screening compound: N~5~-(4-methoxyphenyl)-4-(2-thienyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-1029 Screening compound: N~5~-(4-methoxyphenyl)-4-(2-thienyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-1029
N~5~-(4-methoxyphenyl)-4-(2-thienyl)-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

G118-1029

Molecular Formula

C24H21N3O2S (C24 H21 N3 O2 S)

Compound Name

N~5~-(4-methoxyphenyl)-4-(2-thienyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

N-(4-methoxyphenyl)-7-(thiophen-2-yl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

COc(cc1)ccc1NC(N(Cc(cccc1)c1-n1c2ccc1)C2c1cccs1)=O

InChI

InChI=1S/C24H21N3O2S/c1-29-19-12-10-18(11-13-19)25-24(28)27-16-17-6-2-3-7-20(17)26-14-4-8-21(26)23(27)22-9-5-15-30-22/h2-15,23H,16H2,1H3,(H,25,28)/t23-/m0/s1

InChI Key

ZWHHOIDXOJUIOZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14981363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.37

Polar Surface Area

35.133

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

G118-1029 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G118-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-1029?
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What is the minimum amount of G118-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-1029
  • 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 G118-1029 available by request