8009-5696 Screening compound: 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

8009-5696 Screening compound: 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
8009-5696 Screening compound: 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5696
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

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

8009-5696

Molecular Formula

C16H12ClN3O2S (C16 H12 ClN3 O2 S)

Compound Name

2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

IUPAC name

2-{[5-(2-chlorophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetic acid

SMILES

OC(CSc1nnc(-c(cccc2)c2Cl)n1-c1ccccc1)=O

InChI

InChI=1S/C16H12ClN3O2S/c17-13-9-5-4-8-12(13)15-18-19-16(23-10-14(21)22)20(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,22)

InChI Key

IQLKTILSOWLTFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01618527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

-0.305

Water Solubility, LogSw

-3.51

Polar Surface Area

53.368

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8009-5696 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-5696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5696?
Check Price and Availability of 8009-5696, 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 8009-5696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5696
  • 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 8009-5696 available by request