G681-0145 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

G681-0145 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
G681-0145 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G681-0145
N-[(4-chlorophenyl)methyl]-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

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

G681-0145

Molecular Formula

C25H22ClN3OS (C25 H22 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(C1)=Nc(cccc2)c2N=C1SCC(NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H22ClN3OS/c1-17-6-10-19(11-7-17)23-14-25(29-22-5-3-2-4-21(22)28-23)31-16-24(30)27-15-18-8-12-20(26)13-9-18/h2-13H,14-16H2,1H3,(H,27,30)

InChI Key

DNLRCIYDPSIAON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

5.359

Water Solubility, LogSw

-5.95

Polar Surface Area

42.661

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G681-0145 in Drug Discovery

Included in Screening Libraries

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 G681-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G681-0145?
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What is the minimum amount of G681-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G681-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G681-0145
  • 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 G681-0145 available by request