8014-2488 Screening compound: N,N-diethyl-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide

8014-2488 Screening compound: N,N-diethyl-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide
8014-2488 Screening compound: N,N-diethyl-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2488
N,N-diethyl-2-(methylsulfanyl)-1,3-benzothiazole-6-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

8014-2488

Molecular Formula

C12H16N2O2S3 (C12 H16 N2 O2 S3)

Compound Name

N,N-diethyl-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide

IUPAC name

NN-diethyl-2-(methylsulfanyl)-13-benzothiazole-6-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1nc(SC)s2)(=O)=O

InChI

InChI=1S/C12H16N2O2S3/c1-4-14(5-2)19(15,16)9-6-7-10-11(8-9)18-12(13-10)17-3/h6-8H,4-5H2,1-3H3

InChI Key

QXLHFIQWICUZMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.74

Polar Surface Area

40.416

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8014-2488 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8014-2488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2488?
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What is the minimum amount of 8014-2488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2488
  • 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 8014-2488 available by request