C592-0471 Screening compound: 2-fluoro-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

C592-0471 Screening compound: 2-fluoro-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
C592-0471 Screening compound: 2-fluoro-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-0471
2-fluoro-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-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

C592-0471

Molecular Formula

C22H20FN7O2S2 (C22 H20 FN7 O2 S2)

Compound Name

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

IUPAC name

2-fluoro-N-{[5-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c(cccc3)c3F)=O)n2-c2cc(C)ccc2)=O)s1

InChI

InChI=1S/C22H20FN7O2S2/c1-13-6-5-7-15(10-13)30-18(11-24-20(32)16-8-3-4-9-17(16)23)27-29-22(30)33-12-19(31)25-21-28-26-14(2)34-21/h3-10H,11-12H2,1-2H3,(H,24,32)(H,25,28,31)

InChI Key

MBHRKMNDUWIYTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.169

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.63

Polar Surface Area

96.874

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C592-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-0471?
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What is the minimum amount of C592-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-0471
  • 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 C592-0471 available by request