V010-0799 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

V010-0799 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
V010-0799 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0799
N-{[4-(5-chloro-2-methylphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

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

V010-0799

Molecular Formula

C25H21ClFN5O3S (C25 H21 ClFN5 O3 S)

Compound Name

N-{[4-(5-chloro-2-methylphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

IUPAC name

N-{[4-(5-chloro-2-methylphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

SMILES

Cc(ccc(Cl)c1)c1-n1c(SCc(cc2)ccc2F)nnc1CNC(c1cc([N+]([O-])=O)c(C)cc1)=O

InChI

InChI=1S/C25H21ClFN5O3S/c1-15-4-8-19(26)12-21(15)31-23(29-30-25(31)36-14-17-5-9-20(27)10-6-17)13-28-24(33)18-7-3-16(2)22(11-18)32(34)35/h3-12H,13-14H2,1-2H3,(H,28,33)

InChI Key

AIOHKHHBQPFLIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19841933

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.353

Distribution Coefficient, logD

5.353

Water Solubility, LogSw

-5.94

Polar Surface Area

83.153

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V010-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0799?
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What is the minimum amount of V010-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0799
  • 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 V010-0799 available by request