V012-0295 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

V012-0295 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
V012-0295 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0295
ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

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

V012-0295

Molecular Formula

C22H24ClN3O2S (C22 H24 ClN3 O2 S)

Compound Name

ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

IUPAC name

ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}pentanoate

SMILES

CCCC(C(OCC)=O)Sc1nnc(-c(cccc2)c2Cl)n1-c1c(C)cccc1

InChI

InChI=1S/C22H24ClN3O2S/c1-4-10-19(21(27)28-5-2)29-22-25-24-20(16-12-7-8-13-17(16)23)26(22)18-14-9-6-11-15(18)3/h6-9,11-14,19H,4-5,10H2,1-3H3/t19-/m0/s1

InChI Key

XNCMWWMYFSKKIH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19844431

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.114

Distribution Coefficient, logD

6.114

Water Solubility, LogSw

-5.88

Polar Surface Area

45.437

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V012-0295 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 V012-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0295?
Check Price and Availability of V012-0295, 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 V012-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0295
  • 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 V012-0295 available by request