V015-0631 Screening compound: benzyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V015-0631 Screening compound: benzyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V015-0631 Screening compound: benzyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0631
benzyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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

V015-0631

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

benzyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

benzyl 2-{[5-(35-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

COc1cc(-c(n2-c3ccccc3)nnc2SCC(OCc2ccccc2)=O)cc(OC)c1

InChI

InChI=1S/C25H23N3O4S/c1-30-21-13-19(14-22(15-21)31-2)24-26-27-25(28(24)20-11-7-4-8-12-20)33-17-23(29)32-16-18-9-5-3-6-10-18/h3-15H,16-17H2,1-2H3

InChI Key

KDKCWSATBDGMER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843517

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

5.114

Water Solubility, LogSw

-5.11

Polar Surface Area

60.334

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V015-0631 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 V015-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0631?
Check Price and Availability of V015-0631, 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 V015-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0631
  • 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 V015-0631 available by request