V011-4078 Screening compound: 4-cyclohexyl-3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole

V011-4078 Screening compound: 4-cyclohexyl-3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
V011-4078 Screening compound: 4-cyclohexyl-3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4078
4-cyclohexyl-3-{[(3,5-difluorophenyl)methyl]sulfanyl}-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

V011-4078

Molecular Formula

C23H25F2N3O2S (C23 H25 F2 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(-c(n2C3CCCCC3)nnc2SCc2cc(F)cc(F)c2)cc(OC)c1

InChI

InChI=1S/C23H25F2N3O2S/c1-29-20-10-16(11-21(13-20)30-2)22-26-27-23(28(22)19-6-4-3-5-7-19)31-14-15-8-17(24)12-18(25)9-15/h8-13,19H,3-7,14H2,1-2H3

InChI Key

RKOMBMMADCKIHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843481

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.53

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

6.063

Distribution Coefficient, logD

6.063

Water Solubility, LogSw

-5.38

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

V011-4078 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V011-4078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4078?
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What is the minimum amount of V011-4078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4078
  • 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 V011-4078 available by request