C592-0454 Screening compound: 2-fluoro-N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

C592-0454 Screening compound: 2-fluoro-N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
C592-0454 Screening compound: 2-fluoro-N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-0454
2-fluoro-N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-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

C592-0454

Molecular Formula

C24H19F2N5O2S (C24 H19 F2 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(CNC(c(cccc2)c2F)=O)n1-c1ccccc1)Nc(cccc1)c1F

InChI

InChI=1S/C24H19F2N5O2S/c25-18-11-5-4-10-17(18)23(33)27-14-21-29-30-24(31(21)16-8-2-1-3-9-16)34-15-22(32)28-20-13-7-6-12-19(20)26/h1-13H,14-15H2,(H,27,33)(H,28,32)

InChI Key

PHMYRKVXUTYKRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04391328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.92

Polar Surface Area

72.825

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with C592-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-0454?
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What is the minimum amount of C592-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-0454
  • 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 C592-0454 available by request