V011-4957 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V011-4957 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V011-4957 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4957
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-methylphenyl)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

V011-4957

Molecular Formula

C24H29N3O2S (C24 H29 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc2nnc(-c3cc(OC)cc(OC)c3)n2C2CCCCC2)cccc1

InChI

InChI=1S/C24H29N3O2S/c1-17-9-7-8-10-18(17)16-30-24-26-25-23(27(24)20-11-5-4-6-12-20)19-13-21(28-2)15-22(14-19)29-3/h7-10,13-15,20H,4-6,11-12,16H2,1-3H3

InChI Key

LGQSSSDXRJRABZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843463

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

423.58

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

6.455

Distribution Coefficient, logD

6.455

Water Solubility, LogSw

-5.63

Polar Surface Area

39.633

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

V011-4957 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V011-4957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4957?
Check Price and Availability of V011-4957, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V011-4957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4957
  • 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 V011-4957 available by request