V015-1147 Screening compound: 3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole

V015-1147 Screening compound: 3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole
V015-1147 Screening compound: 3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1147
3-(benzylsulfanyl)-5-cyclohexyl-4-(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

V015-1147

Molecular Formula

C22H25N3OS (C22 H25 N3 OS)

Compound Name

3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-cyclohexyl-4-(4-methoxyphenyl)-4H-124-triazole

SMILES

COc(cc1)ccc1-n1c(SCc2ccccc2)nnc1C1CCCCC1

InChI

InChI=1S/C22H25N3OS/c1-26-20-14-12-19(13-15-20)25-21(18-10-6-3-7-11-18)23-24-22(25)27-16-17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,1H3

InChI Key

PSQNMHWWFMRAOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10462738

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.53

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

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.23

Polar Surface Area

32.448

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V015-1147 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V015-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1147?
Check Price and Availability of V015-1147, 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 V015-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1147
  • 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 V015-1147 available by request