V014-1520 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

V014-1520 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
V014-1520 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1520
N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)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

V014-1520

Molecular Formula

C26H24ClN5O4S (C26 H24 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1-n1c(SCc2cc(OC)ccc2)nnc1CNC(c1cc([N+]([O-])=O)c(C)cc1)=O

InChI

InChI=1S/C26H24ClN5O4S/c1-16-8-10-20(27)13-22(16)31-24(14-28-25(33)19-9-7-17(2)23(12-19)32(34)35)29-30-26(31)37-15-18-5-4-6-21(11-18)36-3/h4-13H,14-15H2,1-3H3,(H,28,33)

InChI Key

ZQYTYJVGCDUJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240545

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.657

Distribution Coefficient, logD

5.657

Water Solubility, LogSw

-5.98

Polar Surface Area

90.697

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V014-1520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1520?
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What is the minimum amount of V014-1520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1520
  • 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 V014-1520 available by request