G281-1503 Screening compound: N~5~-(2,3-dimethylphenyl)-4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1503 Screening compound: N~5~-(2,3-dimethylphenyl)-4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1503 Screening compound: N~5~-(2,3-dimethylphenyl)-4-ethyl-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 G281-1503
N~5~-(2,3-dimethylphenyl)-4-ethyl-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

G281-1503

Molecular Formula

C25H29N3OS (C25 H29 N3 OS)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-7-ethyl-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CCC(c1cccn1-c1c(C2)c(CCCC3)c3s1)N2C(Nc1c(C)c(C)ccc1)=O

InChI

InChI=1S/C25H29N3OS/c1-4-21-22-12-8-14-27(22)24-19(18-10-5-6-13-23(18)30-24)15-28(21)25(29)26-20-11-7-9-16(2)17(20)3/h7-9,11-12,14,21H,4-6,10,13,15H2,1-3H3,(H,26,29)/t21-/m1/s1

InChI Key

NQSAUWWGMLFICB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14994364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.59

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

7.041

Distribution Coefficient, logD

7.041

Water Solubility, LogSw

-5.64

Polar Surface Area

26.469

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

G281-1503 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 G281-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1503?
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What is the minimum amount of G281-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1503
  • 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 G281-1503 available by request