V010-9201 Screening compound: 4-[5-[(3-methoxybenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

V010-9201 Screening compound: 4-[5-[(3-methoxybenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
V010-9201 Screening compound: 4-[5-[(3-methoxybenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9201
4-[5-[(3-methoxybenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

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

V010-9201

Molecular Formula

C22H20N4OS (C22 H20 N4 OS)

Compound Name

4-[5-[(3-methoxybenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

4-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-124-triazol-3-yl)pyridine

SMILES

Cc(cccc1)c1-n1c(SCc2cc(OC)ccc2)nnc1-c1ccncc1

InChI

InChI=1S/C22H20N4OS/c1-16-6-3-4-9-20(16)26-21(18-10-12-23-13-11-18)24-25-22(26)28-15-17-7-5-8-19(14-17)27-2/h3-14H,15H2,1-2H3

InChI Key

MCGQDEJFHPRZDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15581862

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-4.38

Polar Surface Area

41.384

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

V010-9201 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-9201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9201?
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What is the minimum amount of V010-9201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9201
  • 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 V010-9201 available by request