G731-0359 Screening compound: N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

G731-0359 Screening compound: N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
G731-0359 Screening compound: N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0359
N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-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

G731-0359

Molecular Formula

C14H17FN4OS (C14 H17 FN4 OS)

Compound Name

N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CC(C)(C)NC(CSc1nnc(-c(cc2)ccc2F)[nH]1)=O

InChI

InChI=1S/C14H17FN4OS/c1-14(2,3)17-11(20)8-21-13-16-12(18-19-13)9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H,17,20)(H,16,18,19)

InChI Key

LQRHTKGCBFDSLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

1.109

Water Solubility, LogSw

-2.77

Polar Surface Area

56.041

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

G731-0359 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G731-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0359?
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What is the minimum amount of G731-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0359
  • 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 G731-0359 available by request