6807-0556 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)butanamide

6807-0556 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)butanamide
6807-0556 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0556
N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)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

6807-0556

Molecular Formula

C15H13NO5S3 (C15 H13 NO5 S3)

Compound Name

N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)butanamide

IUPAC name

N-(2-oxo-2H-13-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)butanamide

SMILES

CCCC(N(c(cc1)cc(S2)c1OC2=O)S(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C15H13NO5S3/c1-2-4-13(17)16(24(19,20)14-5-3-8-22-14)10-6-7-11-12(9-10)23-15(18)21-11/h3,5-9H,2,4H2,1H3

InChI Key

ZLDFFASYRNTXBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05804795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

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

3.192

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-3.52

Polar Surface Area

68.381

Acid Dissociation Constant (pKa)

20.98

Base Dissociation Constant (pKb)

-14.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6807-0556 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6807-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0556?
Check Price and Availability of 6807-0556, 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 6807-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0556
  • 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 6807-0556 available by request