V010-9208 Screening compound: 3-(benzylsulfanyl)-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole

V010-9208 Screening compound: 3-(benzylsulfanyl)-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
V010-9208 Screening compound: 3-(benzylsulfanyl)-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9208
3-(benzylsulfanyl)-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-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

V010-9208

Molecular Formula

C22H17Cl2N3OS (C22 H17 Cl2 N3 OS)

Compound Name

3-(benzylsulfanyl)-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-4-(34-dichlorophenyl)-5-(4-methoxyphenyl)-4H-124-triazole

SMILES

COc(cc1)ccc1-c(n1-c(cc2)cc(Cl)c2Cl)nnc1SCc1ccccc1

InChI

InChI=1S/C22H17Cl2N3OS/c1-28-18-10-7-16(8-11-18)21-25-26-22(29-14-15-5-3-2-4-6-15)27(21)17-9-12-19(23)20(24)13-17/h2-13H,14H2,1H3

InChI Key

OOXRPKGWQWKUFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978672

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.403

Distribution Coefficient, logD

6.403

Water Solubility, LogSw

-6.35

Polar Surface Area

32.256

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V010-9208 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V010-9208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9208?
Check Price and Availability of V010-9208, 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 V010-9208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9208
  • 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 V010-9208 available by request