V009-3664 Screening compound: 3-{[(2-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole

V009-3664 Screening compound: 3-{[(2-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
V009-3664 Screening compound: 3-{[(2-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3664
3-{[(2-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-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

V009-3664

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

3-{[(2-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole

IUPAC name

3-{[(2-methoxyphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-124-triazole

SMILES

COc1c(CSc2nnc(-c(cc3)ccc3[N+]([O-])=O)n2-c2ccccc2)cccc1

InChI

InChI=1S/C22H18N4O3S/c1-29-20-10-6-5-7-17(20)15-30-22-24-23-21(25(22)18-8-3-2-4-9-18)16-11-13-19(14-12-16)26(27)28/h2-14H,15H2,1H3

InChI Key

HTLMOKKBLIUHQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15185888

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.47

Polar Surface Area

65.724

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V009-3664 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V009-3664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3664?
Check Price and Availability of V009-3664, 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 V009-3664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3664
  • 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 V009-3664 available by request