V003-0120 Screening compound: 3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V003-0120 Screening compound: 3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V003-0120 Screening compound: 3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0120
3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

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

V003-0120

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

IUPAC name

3-({[4-cyclohexyl-5-(35-dimethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile

SMILES

COc1cc(-c(n2C3CCCCC3)nnc2SCc2cc(C#N)ccc2)cc(OC)c1

InChI

InChI=1S/C24H26N4O2S/c1-29-21-12-19(13-22(14-21)30-2)23-26-27-24(28(23)20-9-4-3-5-10-20)31-16-18-8-6-7-17(11-18)15-25/h6-8,11-14,20H,3-5,9-10,16H2,1-2H3

InChI Key

WAOUIWKMXWTKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843478

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.56

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

5.229

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.09

Polar Surface Area

56.689

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V003-0120 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0120?
Check Price and Availability of V003-0120, 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 V003-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0120
  • 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 V003-0120 available by request