C592-3860 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-3860 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-3860 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3860
2-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-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

C592-3860

Molecular Formula

C19H20N4O4S (C19 H20 N4 O4 S)

Compound Name

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

IUPAC name

2-{[5-(34-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

COc(cc1)ccc1-n1c(SCC(N)=O)nnc1-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C19H20N4O4S/c1-25-14-7-5-13(6-8-14)23-18(21-22-19(23)28-11-17(20)24)12-4-9-15(26-2)16(10-12)27-3/h4-10H,11H2,1-3H3,(H2,20,24)

InChI Key

PLJLXFFJRYDPPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-2.79

Polar Surface Area

81.177

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C592-3860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3860?
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What is the minimum amount of C592-3860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3860
  • 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 C592-3860 available by request