C187-0027 Screening compound: N-(4-nitrophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

C187-0027 Screening compound: N-(4-nitrophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
C187-0027 Screening compound: N-(4-nitrophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C187-0027
N-(4-nitrophenyl)-2-oxo-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

C187-0027

Molecular Formula

C13H9N3O5S2 (C13 H9 N3 O5 S2)

Compound Name

N-(4-nitrophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

N-(4-nitrophenyl)-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

[O-][N+](c(cc1)ccc1NS(c(cc1)cc(S2)c1NC2=O)(=O)=O)=O

InChI

InChI=1S/C13H9N3O5S2/c17-13-14-11-6-5-10(7-12(11)22-13)23(20,21)15-8-1-3-9(4-2-8)16(18)19/h1-7,15H,(H,14,17)

InChI Key

CUNISMNPBLOCQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-3.56

Polar Surface Area

98.417

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C187-0027 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C187-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C187-0027?
Check Price and Availability of C187-0027, 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 C187-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C187-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C187-0027
  • 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 C187-0027 available by request