V010-7616 Screening compound: methyl 3-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

V010-7616 Screening compound: methyl 3-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
V010-7616 Screening compound: methyl 3-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-7616
methyl 3-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-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

V010-7616

Molecular Formula

C24H20ClN3O3S (C24 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

methyl 3-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoate

SMILES

COC(c1cccc(CSc2nnc(-c(cccc3)c3Cl)n2-c(cccc2)c2OC)c1)=O

InChI

InChI=1S/C24H20ClN3O3S/c1-30-21-13-6-5-12-20(21)28-22(18-10-3-4-11-19(18)25)26-27-24(28)32-15-16-8-7-9-17(14-16)23(29)31-2/h3-14H,15H2,1-2H3

InChI Key

AUOIGYCFZMNBPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27626239

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.96

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

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.76

Polar Surface Area

53.216

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V010-7616 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V010-7616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-7616?
Check Price and Availability of V010-7616, 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 V010-7616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-7616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-7616
  • 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 V010-7616 available by request