V010-0250 Screening compound: 3,5-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide

V010-0250 Screening compound: 3,5-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
V010-0250 Screening compound: 3,5-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0250
3,5-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)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

V010-0250

Molecular Formula

C25H22Cl2N4OS (C25 H22 Cl2 N4 OS)

Compound Name

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

IUPAC name

35-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc(cc1)ccc1-n1c(SCc2c(C)cccc2)nnc1CNC(c1cc(Cl)cc(Cl)c1)=O

InChI

InChI=1S/C25H22Cl2N4OS/c1-16-7-9-22(10-8-16)31-23(14-28-24(32)19-11-20(26)13-21(27)12-19)29-30-25(31)33-15-18-6-4-3-5-17(18)2/h3-13H,14-15H2,1-2H3,(H,28,32)

InChI Key

SQRBIAGWLBRWNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19719043

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.903

Distribution Coefficient, logD

6.903

Water Solubility, LogSw

-6.31

Polar Surface Area

50.374

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V010-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0250?
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What is the minimum amount of V010-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0250
  • 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 V010-0250 available by request