C187-0034 Screening compound: 2-oxo-N-(1-phenylethyl)-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

C187-0034 Screening compound: 2-oxo-N-(1-phenylethyl)-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
C187-0034 Screening compound: 2-oxo-N-(1-phenylethyl)-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C187-0034
2-oxo-N-(1-phenylethyl)-2,3-dihydro-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

C187-0034

Molecular Formula

C15H14N2O3S2 (C15 H14 N2 O3 S2)

Compound Name

2-oxo-N-(1-phenylethyl)-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

2-oxo-N-(1-phenylethyl)-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

CC(c1ccccc1)NS(c(cc1)cc(S2)c1NC2=O)(=O)=O

InChI

InChI=1S/C15H14N2O3S2/c1-10(11-5-3-2-4-6-11)17-22(19,20)12-7-8-13-14(9-12)21-15(18)16-13/h2-10,17H,1H3,(H,16,18)/t10-/m0/s1

InChI Key

HKPLIJPNQUZCTK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05029365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.60

Polar Surface Area

65.521

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

C187-0034 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C187-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C187-0034?
Check Price and Availability of C187-0034, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C187-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C187-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C187-0034
  • 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 C187-0034 available by request