6220-8025 Screening compound: 3-phenylmethanesulfonyl-1H-1,2,4-triazol-5-amine

6220-8025 Screening compound: 3-phenylmethanesulfonyl-1H-1,2,4-triazol-5-amine
6220-8025 Screening compound: 3-phenylmethanesulfonyl-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-8025
3-phenylmethanesulfonyl-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

6220-8025

Molecular Formula

C9H10N4O2S (C9 H10 N4 O2 S)

Compound Name

3-phenylmethanesulfonyl-1H-1,2,4-triazol-5-amine

IUPAC name

3-phenylmethanesulfonyl-1H-124-triazol-5-amine

SMILES

Nc1nc(S(Cc2ccccc2)(=O)=O)n[nH]1

InChI

InChI=1S/C9H10N4O2S/c10-8-11-9(13-12-8)16(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)

InChI Key

MLZSFHYAJVDZQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01619126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.287

Distribution Coefficient, logD

-0.867

Water Solubility, LogSw

-2.09

Polar Surface Area

83.075

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

6220-8025 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6220-8025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-8025?
Check Price and Availability of 6220-8025, 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 6220-8025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-8025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-8025
  • 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 6220-8025 available by request