V002-7773 Screening compound: 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V002-7773 Screening compound: 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V002-7773 Screening compound: 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7773
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-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

V002-7773

Molecular Formula

C21H23N3OS (C21 H23 N3 OS)

Compound Name

3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(25-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

Cc1cc(CSc2nnc(-c(cc3)ccc3OC)n2CC=C)c(C)cc1

InChI

InChI=1S/C21H23N3OS/c1-5-12-24-20(17-8-10-19(25-4)11-9-17)22-23-21(24)26-14-18-13-15(2)6-7-16(18)3/h5-11,13H,1,12,14H2,2-4H3

InChI Key

YGRYLWUJMJLQQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843921

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.853

Distribution Coefficient, logD

5.853

Water Solubility, LogSw

-5.51

Polar Surface Area

31.763

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V002-7773 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V002-7773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7773?
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What is the minimum amount of V002-7773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7773
  • 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 V002-7773 available by request