G786-1513 Screening compound: 1-(4-fluorophenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

G786-1513 Screening compound: 1-(4-fluorophenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
G786-1513 Screening compound: 1-(4-fluorophenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1513
1-(4-fluorophenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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

G786-1513

Molecular Formula

C15H12FN3OS2 (C15 H12 FN3 OS2)

Compound Name

1-(4-fluorophenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-fluorophenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

Cn1c(SCC(c(cc2)ccc2F)=O)nnc1-c1cccs1

InChI

InChI=1S/C15H12FN3OS2/c1-19-14(13-3-2-8-21-13)17-18-15(19)22-9-12(20)10-4-6-11(16)7-5-10/h2-8H,9H2,1H3

InChI Key

BHFBCWDWDHHJRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03621160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.29

Polar Surface Area

39.316

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

G786-1513 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G786-1513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1513?
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What is the minimum amount of G786-1513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1513
  • 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 G786-1513 available by request