G731-0268 Screening compound: methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

G731-0268 Screening compound: methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
G731-0268 Screening compound: methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0268
methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

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

G731-0268

Molecular Formula

C18H15ClN4O3S (C18 H15 ClN4 O3 S)

Compound Name

methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 4-(2-{[5-(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nnc(-c(cccc2)c2Cl)[nH]1)=O)=O

InChI

InChI=1S/C18H15ClN4O3S/c1-26-17(25)11-6-8-12(9-7-11)20-15(24)10-27-18-21-16(22-23-18)13-4-2-3-5-14(13)19/h2-9H,10H2,1H3,(H,20,24)(H,21,22,23)

InChI Key

UXDRGADJVHXCPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09220015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

2.028

Water Solubility, LogSw

-3.81

Polar Surface Area

76.797

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G731-0268 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G731-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0268?
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What is the minimum amount of G731-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0268
  • 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 G731-0268 available by request