8012-9393 Screening compound: 1-[4-(morpholine-4-sulfonyl)benzenesulfonyl]-decahydroquinolin-4-one

8012-9393 Screening compound: 1-[4-(morpholine-4-sulfonyl)benzenesulfonyl]-decahydroquinolin-4-one
8012-9393 Screening compound: 1-[4-(morpholine-4-sulfonyl)benzenesulfonyl]-decahydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9393
1-[4-(morpholine-4-sulfonyl)benzenesulfonyl]-decahydroquinolin-4-one

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

8012-9393

Molecular Formula

C19H26N2O6S2 (C19 H26 N2 O6 S2)

Compound Name

1-[4-(morpholine-4-sulfonyl)benzenesulfonyl]-decahydroquinolin-4-one

IUPAC name

1-[4-(morpholine-4-sulfonyl)benzenesulfonyl]-decahydroquinolin-4-one

SMILES

O=C(CC1)C(CCCC2)C2N1S(c(cc1)ccc1S(N1CCOCC1)(=O)=O)(=O)=O

InChI

InChI=1S/C19H26N2O6S2/c22-19-9-10-21(18-4-2-1-3-17(18)19)29(25,26)16-7-5-15(6-8-16)28(23,24)20-11-13-27-14-12-20/h5-8,17-18H,1-4,9-14H2

InChI Key

FYCUCUDXCHKGHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-2.57

Polar Surface Area

84.804

Acid Dissociation Constant (pKa)

20.64

Base Dissociation Constant (pKb)

-6.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.20

8012-9393 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8012-9393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9393?
Check Price and Availability of 8012-9393, 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 8012-9393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9393
  • 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 8012-9393 available by request