V011-1222 Screening compound: 3-[4-(3-chlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine

V011-1222 Screening compound: 3-[4-(3-chlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine
V011-1222 Screening compound: 3-[4-(3-chlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1222
3-[4-(3-chlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine

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

V011-1222

Molecular Formula

C21H17ClN4S (C21 H17 ClN4 S)

Compound Name

3-[4-(3-chlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

3-[4-(3-chlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]pyridine

SMILES

Cc1c(CSc2nnc(-c3cnccc3)n2-c2cccc(Cl)c2)cccc1

InChI

InChI=1S/C21H17ClN4S/c1-15-6-2-3-7-17(15)14-27-21-25-24-20(16-8-5-11-23-13-16)26(21)19-10-4-9-18(22)12-19/h2-13H,14H2,1H3

InChI Key

MQCQSXRWYXCHOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775886

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

392.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-6.02

Polar Surface Area

34.230

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with V011-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1222?
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What is the minimum amount of V011-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1222
  • 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 V011-1222 available by request