8016-2519 Screening compound: N~1~-(2-chlorophenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

8016-2519 Screening compound: N~1~-(2-chlorophenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
8016-2519 Screening compound: N~1~-(2-chlorophenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2519
N~1~-(2-chlorophenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

8016-2519

Molecular Formula

C15H12ClN5OS (C15 H12 ClN5 OS)

Compound Name

N~1~-(2-chlorophenyl)-2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(2-chlorophenyl)-2-{[5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnc(-c2ccncc2)[nH]1)Nc(cccc1)c1Cl

InChI

InChI=1S/C15H12ClN5OS/c16-11-3-1-2-4-12(11)18-13(22)9-23-15-19-14(20-21-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,22)(H,19,20,21)

InChI Key

ZKGQZUMSCFGGJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03641854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.662

Distribution Coefficient, logD

0.650

Water Solubility, LogSw

-2.50

Polar Surface Area

64.354

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8016-2519 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8016-2519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2519?
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What is the minimum amount of 8016-2519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2519
  • 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 8016-2519 available by request