5954-2345 Screening compound: N~1~-(2-bromophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

5954-2345 Screening compound: N~1~-(2-bromophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
5954-2345 Screening compound: N~1~-(2-bromophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5954-2345
N~1~-(2-bromophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

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

5954-2345

Molecular Formula

C15H11BrN2O4S (C15 H11 BrN2 O4 S)

Compound Name

N~1~-(2-bromophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-(2-bromophenyl)-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cccc1)c1Br

InChI

InChI=1S/C15H11BrN2O4S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)23(18,21)22/h1-8H,9H2,(H,17,19)

InChI Key

IAFCETCMUUCWSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03479409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

1.748

Water Solubility, LogSw

-2.77

Polar Surface Area

67.635

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5954-2345 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5954-2345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5954-2345?
Check Price and Availability of 5954-2345, 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 5954-2345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5954-2345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5954-2345
  • 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 5954-2345 available by request