V007-5970 Screening compound: methyl 3-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

V007-5970 Screening compound: methyl 3-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
V007-5970 Screening compound: methyl 3-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5970
methyl 3-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-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

V007-5970

Molecular Formula

C23H17ClFN3O2S (C23 H17 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(CSc2nnc(-c(cccc3)c3Cl)n2-c(cccc2)c2F)c1)=O

InChI

InChI=1S/C23H17ClFN3O2S/c1-30-22(29)16-8-6-7-15(13-16)14-31-23-27-26-21(17-9-2-3-10-18(17)24)28(23)20-12-5-4-11-19(20)25/h2-13H,14H2,1H3

InChI Key

JINIZFWRBIMJDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07876492

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.92

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

5.560

Distribution Coefficient, logD

5.560

Water Solubility, LogSw

-5.72

Polar Surface Area

45.585

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

V007-5970 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 V007-5970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5970?
Check Price and Availability of V007-5970, 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 V007-5970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5970
  • 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 V007-5970 available by request