G731-0411 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

G731-0411 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
G731-0411 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0411
2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)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

G731-0411

Molecular Formula

C13H10FN5OS2 (C13 H10 FN5 OS2)

Compound Name

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

IUPAC name

2-{[5-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

O=C(CSc1nnc(-c(cc2)ccc2F)[nH]1)Nc1nccs1

InChI

InChI=1S/C13H10FN5OS2/c14-9-3-1-8(2-4-9)11-17-13(19-18-11)22-7-10(20)16-12-15-5-6-21-12/h1-6H,7H2,(H,15,16,20)(H,17,18,19)

InChI Key

UXGKAPXTGYFDAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

0.864

Water Solubility, LogSw

-2.67

Polar Surface Area

66.102

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

G731-0411 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G731-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0411?
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What is the minimum amount of G731-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0411
  • 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 G731-0411 available by request