V003-1795 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V003-1795 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V003-1795 Screening compound: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1795
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-({[2-(trifluoromethyl)phenyl]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

V003-1795

Molecular Formula

C24H26F3N3O2S (C24 H26 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(-c(n2C3CCCCC3)nnc2SCc2c(C(F)(F)F)cccc2)cc(OC)c1

InChI

InChI=1S/C24H26F3N3O2S/c1-31-19-12-17(13-20(14-19)32-2)22-28-29-23(30(22)18-9-4-3-5-10-18)33-15-16-8-6-7-11-21(16)24(25,26)27/h6-8,11-14,18H,3-5,9-10,15H2,1-2H3

InChI Key

RDCWQGUIGLZXII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843472

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.573

Distribution Coefficient, logD

6.573

Water Solubility, LogSw

-5.72

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

V003-1795 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-1795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1795?
Check Price and Availability of V003-1795, 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 V003-1795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1795
  • 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 V003-1795 available by request