6220-4319 Screening compound: 3-[(2-chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine

6220-4319 Screening compound: 3-[(2-chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine
6220-4319 Screening compound: 3-[(2-chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-4319
3-[(2-chlorobenzyl)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

6220-4319

Molecular Formula

C9H9ClN4S (C9 H9 ClN4 S)

Compound Name

3-[(2-chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine

IUPAC name

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

SMILES

Nc1nc(SCc(cccc2)c2Cl)n[nH]1

InChI

InChI=1S/C9H9ClN4S/c10-7-4-2-1-3-6(7)5-15-9-12-8(11)13-14-9/h1-4H,5H2,(H3,11,12,13,14)

InChI Key

ZNOCPAKIRUVGCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00215049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.72

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

2.414

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-2.89

Polar Surface Area

53.212

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

6220-4319 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6220-4319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-4319?
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What is the minimum amount of 6220-4319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-4319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-4319
  • 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 6220-4319 available by request