V013-7849 Screening compound: 2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

V013-7849 Screening compound: 2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
V013-7849 Screening compound: 2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7849
2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

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

V013-7849

Molecular Formula

C25H23N3O2S (C25 H23 N3 O2 S)

Compound Name

2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

IUPAC name

2-{[5-benzyl-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

SMILES

Cc(cccc1)c1-n1c(SCC(c(cc2)ccc2OC)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C25H23N3O2S/c1-18-8-6-7-11-22(18)28-24(16-19-9-4-3-5-10-19)26-27-25(28)31-17-23(29)20-12-14-21(30-2)15-13-20/h3-15H,16-17H2,1-2H3

InChI Key

OOMACRVISIFJGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844030

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.889

Distribution Coefficient, logD

4.889

Water Solubility, LogSw

-4.70

Polar Surface Area

46.178

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V013-7849 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V013-7849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7849?
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What is the minimum amount of V013-7849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7849
  • 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 V013-7849 available by request