V009-0973 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V009-0973 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V009-0973 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0973
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-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

V009-0973

Molecular Formula

C24H29N3O3S (C24 H29 N3 O3 S)

Compound Name

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

IUPAC name

4-cyclohexyl-3-(35-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

COc1ccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2C2CCCCC2)cc1

InChI

InChI=1S/C24H29N3O3S/c1-28-20-11-9-17(10-12-20)16-31-24-26-25-23(27(24)19-7-5-4-6-8-19)18-13-21(29-2)15-22(14-18)30-3/h9-15,19H,4-8,16H2,1-3H3

InChI Key

APWPZCGVTFDTGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843461

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-5.29

Polar Surface Area

47.177

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

V009-0973 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V009-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0973?
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What is the minimum amount of V009-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0973
  • 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 V009-0973 available by request