6807-1049 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)cyclohexanecarboxamide

6807-1049 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)cyclohexanecarboxamide
6807-1049 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-1049
N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)cyclohexanecarboxamide

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

6807-1049

Molecular Formula

C23H20N2O5S2 (C23 H20 N2 O5 S2)

Compound Name

N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)cyclohexanecarboxamide

IUPAC name

N-(2-oxo-2H-13-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)N(c(cc1)cc(S2)c1OC2=O)S(c1cccc2cccnc12)(=O)=O

InChI

InChI=1S/C23H20N2O5S2/c26-22(16-6-2-1-3-7-16)25(17-11-12-18-19(14-17)31-23(27)30-18)32(28,29)20-10-4-8-15-9-5-13-24-21(15)20/h4-5,8-14,16H,1-3,6-7H2

InChI Key

GMCBUEPVJIMRAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05804924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

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

4.040

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-3.93

Polar Surface Area

77.344

Acid Dissociation Constant (pKa)

19.87

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

6807-1049 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6807-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-1049?
Check Price and Availability of 6807-1049, 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 6807-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-1049
  • 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 6807-1049 available by request