G281-1584 Screening compound: N~5~-(4-ethylphenyl)-4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1584 Screening compound: N~5~-(4-ethylphenyl)-4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1584 Screening compound: N~5~-(4-ethylphenyl)-4-methyl-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 G281-1584
N~5~-(4-ethylphenyl)-4-methyl-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

G281-1584

Molecular Formula

C24H27N3OS (C24 H27 N3 OS)

Compound Name

N~5~-(4-ethylphenyl)-4-methyl-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-ethylphenyl)-7-methyl-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CCc(cc1)ccc1NC(N(C1)C(C)c2cccn2-c2c1c(CCCC1)c1s2)=O

InChI

InChI=1S/C24H27N3OS/c1-3-17-10-12-18(13-11-17)25-24(28)27-15-20-19-7-4-5-9-22(19)29-23(20)26-14-6-8-21(26)16(27)2/h6,8,10-14,16H,3-5,7,9,15H2,1-2H3,(H,25,28)/t16-/m1/s1

InChI Key

IRROFYXHISZBAG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14994395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

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

6.311

Distribution Coefficient, logD

6.311

Water Solubility, LogSw

-5.34

Polar Surface Area

26.806

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

G281-1584 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 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 G281-1584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1584?
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What is the minimum amount of G281-1584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1584
  • 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 G281-1584 available by request