G281-1538 Screening compound: 4-ethyl-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1538 Screening compound: 4-ethyl-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1538 Screening compound: 4-ethyl-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-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 G281-1538
4-ethyl-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-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

G281-1538

Molecular Formula

C27H31N3OS (C27 H31 N3 OS)

Compound Name

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

IUPAC name

7-ethyl-N-(5678-tetrahydronaphthalen-1-yl)-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(CCCC2)c2ccc1)=O

InChI

InChI=1S/C27H31N3OS/c1-2-23-24-14-8-16-29(24)26-21(20-12-5-6-15-25(20)32-26)17-30(23)27(31)28-22-13-7-10-18-9-3-4-11-19(18)22/h7-8,10,13-14,16,23H,2-6,9,11-12,15,17H2,1H3,(H,28,31)/t23-/m1/s1

InChI Key

NCASCJQXAGUEMK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14994380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.63

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

7.447

Distribution Coefficient, logD

7.447

Water Solubility, LogSw

-5.66

Polar Surface Area

26.390

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

G281-1538 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 G281-1538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1538?
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What is the minimum amount of G281-1538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1538
  • 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 G281-1538 available by request