V010-8656 Screening compound: methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

V010-8656 Screening compound: methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
V010-8656 Screening compound: methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8656
methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

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

V010-8656

Molecular Formula

C24H21N3O3S (C24 H21 N3 O3 S)

Compound Name

methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

IUPAC name

methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}methyl)benzoate

SMILES

COC(c1cccc(CSc2nnc(-c3cc(OC)ccc3)n2-c2ccccc2)c1)=O

InChI

InChI=1S/C24H21N3O3S/c1-29-21-13-7-9-18(15-21)22-25-26-24(27(22)20-11-4-3-5-12-20)31-16-17-8-6-10-19(14-17)23(28)30-2/h3-15H,16H2,1-2H3

InChI Key

ZIQMRJRWSMGTAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844190

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.313

Water Solubility, LogSw

-5.36

Polar Surface Area

53.430

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V010-8656 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V010-8656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8656?
Check Price and Availability of V010-8656, 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 V010-8656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8656
  • 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 V010-8656 available by request