V007-5235 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

V007-5235 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
V007-5235 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5235
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

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

V007-5235

Molecular Formula

C24H21Cl2N3O2S (C24 H21 Cl2 N3 O2 S)

Compound Name

3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

IUPAC name

3-{[(24-dichlorophenyl)methyl]sulfanyl}-5-(35-dimethoxyphenyl)-4-(4-methylphenyl)-4H-124-triazole

SMILES

Cc(cc1)ccc1-n1c(SCc(ccc(Cl)c2)c2Cl)nnc1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C24H21Cl2N3O2S/c1-15-4-8-19(9-5-15)29-23(17-10-20(30-2)13-21(11-17)31-3)27-28-24(29)32-14-16-6-7-18(25)12-22(16)26/h4-13H,14H2,1-3H3

InChI Key

CWCLNQOPDLIZRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843638

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.188

Distribution Coefficient, logD

7.188

Water Solubility, LogSw

-6.66

Polar Surface Area

39.800

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V007-5235 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 V007-5235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5235?
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What is the minimum amount of V007-5235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5235
  • 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 V007-5235 available by request