8016-8341 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(quinolin-8-yl)acetamide

8016-8341 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(quinolin-8-yl)acetamide
8016-8341 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(quinolin-8-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8341
2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(quinolin-8-yl)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

8016-8341

Molecular Formula

C18H13N3O2S (C18 H13 N3 O2 S)

Compound Name

2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-(quinolin-8-yl)acetamide

IUPAC name

2-(2-oxo-23-dihydro-13-benzothiazol-3-yl)-N-(quinolin-8-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1S1)C1=O)Nc1cccc2cccnc12

InChI

InChI=1S/C18H13N3O2S/c22-16(11-21-14-8-1-2-9-15(14)24-18(21)23)20-13-7-3-5-12-6-4-10-19-17(12)13/h1-10H,11H2,(H,20,22)

InChI Key

RLIZLYGMQBYKAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.26

Polar Surface Area

47.796

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8016-8341 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-8341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8341?
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What is the minimum amount of 8016-8341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8341
  • 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 8016-8341 available by request