C592-3220 Screening compound: 3-fluoro-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

C592-3220 Screening compound: 3-fluoro-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
C592-3220 Screening compound: 3-fluoro-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3220
3-fluoro-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

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

C592-3220

Molecular Formula

C22H19FN6O3S2 (C22 H19 FN6 O3 S2)

Compound Name

3-fluoro-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

IUPAC name

3-fluoro-N-{[4-(2-methoxyphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

COc(cccc1)c1-n1c(SCC(Nc2nccs2)=O)nnc1CNC(c1cc(F)ccc1)=O

InChI

InChI=1S/C22H19FN6O3S2/c1-32-17-8-3-2-7-16(17)29-18(12-25-20(31)14-5-4-6-15(23)11-14)27-28-22(29)34-13-19(30)26-21-24-9-10-33-21/h2-11H,12-13H2,1H3,(H,25,31)(H,24,26,30)

InChI Key

OZJNUIQOKGZGDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05003307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.24

Polar Surface Area

91.331

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C592-3220 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C592-3220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3220
  • 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 C592-3220 available by request