G786-1494 Screening compound: 1-(4-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

G786-1494 Screening compound: 1-(4-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
G786-1494 Screening compound: 1-(4-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1494
1-(4-nitrophenyl)-2-{[4-phenyl-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

G786-1494

Molecular Formula

C21H15N5O3S (C21 H15 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)=O)=O

InChI

InChI=1S/C21H15N5O3S/c27-19(15-6-8-18(9-7-15)26(28)29)14-30-21-24-23-20(16-10-12-22-13-11-16)25(21)17-4-2-1-3-5-17/h1-13H,14H2

InChI Key

JZEHXBQNSMVHOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.79

Polar Surface Area

80.769

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with G786-1494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1494?
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What is the minimum amount of G786-1494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1494
  • 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 G786-1494 available by request