G281-1365 Screening compound: N~5~-(4-bromophenyl)-4-(2-thienyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1365 Screening compound: N~5~-(4-bromophenyl)-4-(2-thienyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1365 Screening compound: N~5~-(4-bromophenyl)-4-(2-thienyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1365
N~5~-(4-bromophenyl)-4-(2-thienyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-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

G281-1365

Molecular Formula

C25H22BrN3OS2 (C25 H22 BrN3 OS2)

Compound Name

N~5~-(4-bromophenyl)-4-(2-thienyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-(4-bromophenyl)-7-(thiophen-2-yl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

O=C(Nc(cc1)ccc1Br)N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c1cccs1

InChI

InChI=1S/C25H22BrN3OS2/c26-16-9-11-17(12-10-16)27-25(30)29-15-19-18-5-1-2-7-21(18)32-24(19)28-13-3-6-20(28)23(29)22-8-4-14-31-22/h3-4,6,8-14,23H,1-2,5,7,15H2,(H,27,30)/t23-/m0/s1

InChI Key

DYXYMAWZSPBORT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14994289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.51

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

7.322

Distribution Coefficient, logD

7.322

Water Solubility, LogSw

-5.96

Polar Surface Area

27.962

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

G281-1365 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 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 G281-1365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1365?
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What is the minimum amount of G281-1365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1365
  • 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 G281-1365 available by request