V008-0054 Screening compound: 4-cyclohexyl-3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H-1,2,4-triazole

V008-0054 Screening compound: 4-cyclohexyl-3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H-1,2,4-triazole
V008-0054 Screening compound: 4-cyclohexyl-3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0054
4-cyclohexyl-3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-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

V008-0054

Molecular Formula

C22H24FN3OS (C22 H24 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(n1C2CCCCC2)nnc1SCc1cc(F)ccc1

InChI

InChI=1S/C22H24FN3OS/c1-27-20-12-10-17(11-13-20)21-24-25-22(26(21)19-8-3-2-4-9-19)28-15-16-6-5-7-18(23)14-16/h5-7,10-14,19H,2-4,8-9,15H2,1H3

InChI Key

XHVYRDOMGUJBPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843892

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.792

Distribution Coefficient, logD

5.792

Water Solubility, LogSw

-5.53

Polar Surface Area

32.089

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V008-0054 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0054?
Check Price and Availability of V008-0054, 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 V008-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0054
  • 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 V008-0054 available by request