G681-0812 Screening compound: 2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide

G681-0812 Screening compound: 2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide
G681-0812 Screening compound: 2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G681-0812
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide

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

G681-0812

Molecular Formula

C22H22ClN3OS (C22 H22 ClN3 OS)

Compound Name

2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide

IUPAC name

2-{[4-(4-chlorophenyl)-3H-15-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide

SMILES

O=C(CSC(C1)=Nc(cccc2)c2N=C1c(cc1)ccc1Cl)NC1CCCC1

InChI

InChI=1S/C22H22ClN3OS/c23-16-11-9-15(10-12-16)20-13-22(26-19-8-4-3-7-18(19)25-20)28-14-21(27)24-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,27)

InChI Key

CNJQAVSZIGEITG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.710

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-5.06

Polar Surface Area

42.752

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G681-0812 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 G681-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G681-0812?
Check Price and Availability of G681-0812, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G681-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G681-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G681-0812
  • 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 G681-0812 available by request