V030-7579 Screening compound: methyl 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

V030-7579 Screening compound: methyl 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
V030-7579 Screening compound: methyl 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7579
methyl 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-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

V030-7579

Molecular Formula

C24H20ClN3O2S (C24 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCc(cccc2)c2C(OC)=O)nnc1-c(cccc1)c1Cl

InChI

InChI=1S/C24H20ClN3O2S/c1-16-11-13-18(14-12-16)28-22(20-9-5-6-10-21(20)25)26-27-24(28)31-15-17-7-3-4-8-19(17)23(29)30-2/h3-14H,15H2,1-2H3

InChI Key

DOAQUZRKGWJYIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27634074

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.074

Distribution Coefficient, logD

6.074

Water Solubility, LogSw

-5.93

Polar Surface Area

45.886

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V030-7579 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V030-7579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7579?
Check Price and Availability of V030-7579, 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 V030-7579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7579
  • 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 V030-7579 available by request