V012-0296 Screening compound: 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole

V012-0296 Screening compound: 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
V012-0296 Screening compound: 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0296
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole

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

V012-0296

Molecular Formula

C23H25ClFN3O2S (C23 H25 ClFN3 O2 S)

Compound Name

3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole

IUPAC name

3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(35-dimethoxyphenyl)-4H-124-triazole

SMILES

COc1cc(-c(n2C3CCCCC3)nnc2SCc(c(F)ccc2)c2Cl)cc(OC)c1

InChI

InChI=1S/C23H25ClFN3O2S/c1-29-17-11-15(12-18(13-17)30-2)22-26-27-23(28(22)16-7-4-3-5-8-16)31-14-19-20(24)9-6-10-21(19)25/h6,9-13,16H,3-5,7-8,14H2,1-2H3

InChI Key

WASMRUVYPHHINM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843474

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.404

Distribution Coefficient, logD

6.404

Water Solubility, LogSw

-6.42

Polar Surface Area

39.633

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with V012-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0296?
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What is the minimum amount of V012-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0296
  • 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 V012-0296 available by request