C592-3232 Screening compound: 2-methoxy-N-{[4-(3-methylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

C592-3232 Screening compound: 2-methoxy-N-{[4-(3-methylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
C592-3232 Screening compound: 2-methoxy-N-{[4-(3-methylphenyl)-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 C592-3232
2-methoxy-N-{[4-(3-methylphenyl)-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

C592-3232

Molecular Formula

C23H22N6O3S2 (C23 H22 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c(cccc2)c2OC)=O)c1

InChI

InChI=1S/C23H22N6O3S2/c1-15-6-5-7-16(12-15)29-19(13-25-21(31)17-8-3-4-9-18(17)32-2)27-28-23(29)34-14-20(30)26-22-24-10-11-33-22/h3-12H,13-14H2,1-2H3,(H,25,31)(H,24,26,30)

InChI Key

ILKOGQRPDQNPKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.6

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

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.85

Polar Surface Area

91.632

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C592-3232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3232?
Check Price and Availability of C592-3232, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C592-3232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3232
  • 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 C592-3232 available by request