G731-0154 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]acetamide

G731-0154 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]acetamide
G731-0154 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0154
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]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

G731-0154

Molecular Formula

C20H19ClN6OS (C20 H19 ClN6 OS)

Compound Name

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

IUPAC name

2-{[5-(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}-N-[1-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]acetamide

SMILES

CC(c1nc(cccc2)c2n1C)NC(CSc1nnc(-c(cccc2)c2Cl)[nH]1)=O

InChI

InChI=1S/C20H19ClN6OS/c1-12(19-23-15-9-5-6-10-16(15)27(19)2)22-17(28)11-29-20-24-18(25-26-20)13-7-3-4-8-14(13)21/h3-10,12H,11H2,1-2H3,(H,22,28)(H,24,25,26)/t12-/m0/s1

InChI Key

LGDDMLCDEBUKOR-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD15030778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-3.72

Polar Surface Area

67.119

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

G731-0154 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G731-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0154?
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What is the minimum amount of G731-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0154
  • 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 G731-0154 available by request