C301-8864 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,4-dimethylbenzene-1-sulfonamide

C301-8864 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,4-dimethylbenzene-1-sulfonamide
C301-8864 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,4-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8864
N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,4-dimethylbenzene-1-sulfonamide

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

C301-8864

Molecular Formula

C17H18N2O3S2 (C17 H18 N2 O3 S2)

Compound Name

N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,4-dimethylbenzene-1-sulfonamide

IUPAC name

N-(3-ethyl-2-oxo-23-dihydro-13-benzothiazol-6-yl)-34-dimethylbenzene-1-sulfonamide

SMILES

CCN(c(ccc(NS(c1cc(C)c(C)cc1)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C17H18N2O3S2/c1-4-19-15-8-6-13(10-16(15)23-17(19)20)18-24(21,22)14-7-5-11(2)12(3)9-14/h5-10,18H,4H2,1-3H3

InChI Key

ASKWPDSQBJHAEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.430

Water Solubility, LogSw

-4.27

Polar Surface Area

56.457

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C301-8864 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-8864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8864?
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What is the minimum amount of C301-8864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8864
  • 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 C301-8864 available by request