8018-9996 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(pyridin-2-yl)propanamide

8018-9996 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(pyridin-2-yl)propanamide
8018-9996 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(pyridin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9996
3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(pyridin-2-yl)propanamide

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

8018-9996

Molecular Formula

C15H13N3O2S (C15 H13 N3 O2 S)

Compound Name

3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(pyridin-2-yl)propanamide

IUPAC name

3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)-N-(pyridin-2-yl)propanamide

SMILES

O=C(CCN(c(cccc1)c1S1)C1=O)Nc1ncccc1

InChI

InChI=1S/C15H13N3O2S/c19-14(17-13-7-3-4-9-16-13)8-10-18-11-5-1-2-6-12(11)21-15(18)20/h1-7,9H,8,10H2,(H,16,17,19)

InChI Key

DFVDFDGKPWYSSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

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

2.531

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-2.76

Polar Surface Area

48.554

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8018-9996 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-9996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9996?
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What is the minimum amount of 8018-9996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9996
  • 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 8018-9996 available by request