C592-0470 Screening compound: 2-fluoro-N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

C592-0470 Screening compound: 2-fluoro-N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
C592-0470 Screening compound: 2-fluoro-N-{[4-(4-fluorophenyl)-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 C592-0470
2-fluoro-N-{[4-(4-fluorophenyl)-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

C592-0470

Molecular Formula

C21H16F2N6O2S2 (C21 H16 F2 N6 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(CNC(c(cccc2)c2F)=O)n1-c(cc1)ccc1F)Nc1nccs1

InChI

InChI=1S/C21H16F2N6O2S2/c22-13-5-7-14(8-6-13)29-17(11-25-19(31)15-3-1-2-4-16(15)23)27-28-21(29)33-12-18(30)26-20-24-9-10-32-20/h1-10H,11-12H2,(H,25,31)(H,24,26,30)

InChI Key

VHQBMLPYMGJORB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05034772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.74

Polar Surface Area

84.001

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C592-0470 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C592-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-0470?
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What is the minimum amount of C592-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-0470
  • 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 C592-0470 available by request