Y020-8156 Screening compound: 3-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine

Y020-8156 Screening compound: 3-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine
Y020-8156 Screening compound: 3-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8156
3-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine

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

Y020-8156

Molecular Formula

C10H12N4S (C10 H12 N4 S)

Compound Name

3-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine

IUPAC name

3-{[(2-methylphenyl)methyl]sulfanyl}-1H-124-triazol-5-amine

SMILES

Cc1c(CSc2n[nH]c(N)n2)cccc1

InChI

InChI=1S/C10H12N4S/c1-7-4-2-3-5-8(7)6-15-10-12-9(11)13-14-10/h2-5H,6H2,1H3,(H3,11,12,13,14)

InChI Key

QJNPGHVFNSIBFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-2.50

Polar Surface Area

53.212

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y020-8156 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y020-8156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8156?
Check Price and Availability of Y020-8156, 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 Y020-8156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8156
  • 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 Y020-8156 available by request