C592-3895 Screening compound: 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C592-3895 Screening compound: 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
C592-3895 Screening compound: 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3895
2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-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

C592-3895

Molecular Formula

C19H22N6O2S2 (C19 H22 N6 O2 S2)

Compound Name

2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

2-[(5-{[(46-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

CCOc(cc1)ccc1-n1c(SCC(N)=O)nnc1CSc1nc(C)cc(C)n1

InChI

InChI=1S/C19H22N6O2S2/c1-4-27-15-7-5-14(6-8-15)25-17(23-24-19(25)29-10-16(20)26)11-28-18-21-12(2)9-13(3)22-18/h5-9H,4,10-11H2,1-3H3,(H2,20,26)

InChI Key

MGJHITRCQCMZQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04473634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-2.73

Polar Surface Area

83.378

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C592-3895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3895?
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What is the minimum amount of C592-3895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3895
  • 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 C592-3895 available by request