C592-3889 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-3889 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-3889 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3889
2-{[4-(4-chlorophenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-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

C592-3889

Molecular Formula

C15H13ClN6OS2 (C15 H13 ClN6 OS2)

Compound Name

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

IUPAC name

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

SMILES

NC(CSc1nnc(CSc2ncccn2)n1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C15H13ClN6OS2/c16-10-2-4-11(5-3-10)22-13(9-24-14-18-6-1-7-19-14)20-21-15(22)25-8-12(17)23/h1-7H,8-9H2,(H2,17,23)

InChI Key

CKPYFRJJHOFZAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04473591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-2.49

Polar Surface Area

77.505

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with C592-3889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3889?
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What is the minimum amount of C592-3889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3889
  • 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 C592-3889 available by request