G786-1512 Screening compound: 1-(4-fluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

G786-1512 Screening compound: 1-(4-fluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
G786-1512 Screening compound: 1-(4-fluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1512
1-(4-fluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-4-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

G786-1512

Molecular Formula

C22H17FN4O2S (C22 H17 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1c(SCC(c(cc2)ccc2F)=O)nnc1-c1ccncc1

InChI

InChI=1S/C22H17FN4O2S/c1-29-19-8-6-18(7-9-19)27-21(16-10-12-24-13-11-16)25-26-22(27)30-14-20(28)15-2-4-17(23)5-3-15/h2-13H,14H2,1H3

InChI Key

AKRLKGDSHUTDAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03621168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.91

Polar Surface Area

54.931

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G786-1512 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with G786-1512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1512?
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What is the minimum amount of G786-1512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1512
  • 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 G786-1512 available by request