C592-3855 Screening compound: 2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-3855 Screening compound: 2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-3855 Screening compound: 2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3855
2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-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

C592-3855

Molecular Formula

C15H12ClN5OS (C15 H12 ClN5 OS)

Compound Name

2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

NC(CSc1nnc(-c2cnccc2)n1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C15H12ClN5OS/c16-11-3-5-12(6-4-11)21-14(10-2-1-7-18-8-10)19-20-15(21)23-9-13(17)22/h1-8H,9H2,(H2,17,22)

InChI Key

POJNXEPVMMHOEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03751071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.741

Distribution Coefficient, logD

1.736

Water Solubility, LogSw

-2.50

Polar Surface Area

67.890

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with C592-3855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3855?
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What is the minimum amount of C592-3855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3855
  • 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 C592-3855 available by request