7202-1115 Screening compound: N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide

7202-1115 Screening compound: N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide
7202-1115 Screening compound: N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7202-1115
N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide

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

7202-1115

Molecular Formula

C17H14BrNO5S2 (C17 H14 BrNO5 S2)

Compound Name

N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide

IUPAC name

N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-13-benzoxathiol-5-yl)butanamide

SMILES

CCCC(N(c(cc1)cc(S2)c1OC2=O)S(c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C17H14BrNO5S2/c1-2-3-16(20)19(26(22,23)13-7-4-11(18)5-8-13)12-6-9-14-15(10-12)25-17(21)24-14/h4-10H,2-3H2,1H3

InChI Key

AQPLWMXIUPJNBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05804160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.43

Polar Surface Area

67.363

Acid Dissociation Constant (pKa)

20.98

Base Dissociation Constant (pKb)

-15.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 7202-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7202-1115?
Check Price and Availability of 7202-1115, 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 7202-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7202-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7202-1115
  • 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 7202-1115 available by request