6807-0687 Screening compound: N-(4-chlorobenzenesulfonyl)-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}furan-2-carboxamide

6807-0687 Screening compound: N-(4-chlorobenzenesulfonyl)-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}furan-2-carboxamide
6807-0687 Screening compound: N-(4-chlorobenzenesulfonyl)-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0687
N-(4-chlorobenzenesulfonyl)-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}furan-2-carboxamide

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

6807-0687

Molecular Formula

C22H12ClNO6S2 (C22 H12 ClNO6 S2)

Compound Name

N-(4-chlorobenzenesulfonyl)-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}furan-2-carboxamide

IUPAC name

N-(4-chlorobenzenesulfonyl)-N-{2-oxo-2H-naphtho[21-d][13]oxathiol-5-yl}furan-2-carboxamide

SMILES

O=C(c1ccco1)N(c(c1ccccc11)cc(S2)c1OC2=O)S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C22H12ClNO6S2/c23-13-7-9-14(10-8-13)32(27,28)24(21(25)18-6-3-11-29-18)17-12-19-20(30-22(26)31-19)16-5-2-1-4-15(16)17/h1-12H

InChI Key

YAHHLOIIDJEZMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05803943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-5.33

Polar Surface Area

75.309

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-16.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6807-0687 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6807-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0687?
Check Price and Availability of 6807-0687, 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 6807-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0687
  • 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 6807-0687 available by request