C301-8884 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2,5-dimethoxybenzene-1-sulfonamide

C301-8884 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2,5-dimethoxybenzene-1-sulfonamide
C301-8884 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2,5-dimethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8884
N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2,5-dimethoxybenzene-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

C301-8884

Molecular Formula

C17H18N2O5S2 (C17 H18 N2 O5 S2)

Compound Name

N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-2,5-dimethoxybenzene-1-sulfonamide

IUPAC name

N-(3-ethyl-2-oxo-23-dihydro-13-benzothiazol-6-yl)-25-dimethoxybenzene-1-sulfonamide

SMILES

CCN(c(ccc(NS(c(cc(cc1)OC)c1OC)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C17H18N2O5S2/c1-4-19-13-7-5-11(9-15(13)25-17(19)20)18-26(21,22)16-10-12(23-2)6-8-14(16)24-3/h5-10,18H,4H2,1-3H3

InChI Key

ILLPDRTWKMOEGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.92

Polar Surface Area

71.631

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C301-8884 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C301-8884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8884?
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What is the minimum amount of C301-8884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8884
  • 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 C301-8884 available by request