K781-7968 Screening compound: N-(3-chloro-4-methylphenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamide

K781-7968 Screening compound: N-(3-chloro-4-methylphenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamide
K781-7968 Screening compound: N-(3-chloro-4-methylphenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-7968
N-(3-chloro-4-methylphenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamide

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

K781-7968

Molecular Formula

C21H22ClFN2O5S (C21 H22 ClFN2 O5 S)

Compound Name

N-(3-chloro-4-methylphenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamide

IUPAC name

N-(3-chloro-4-methylphenyl)-5-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamide

SMILES

Cc(ccc(NC(c(cc(cc1)S(N(CC2)CCC22OCCO2)(=O)=O)c1F)=O)c1)c1Cl

InChI

InChI=1S/C21H22ClFN2O5S/c1-14-2-3-15(12-18(14)22)24-20(26)17-13-16(4-5-19(17)23)31(27,28)25-8-6-21(7-9-25)29-10-11-30-21/h2-5,12-13H,6-11H2,1H3,(H,24,26)

InChI Key

WJCAVZJWKRQKDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.53

Polar Surface Area

69.477

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K781-7968 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K781-7968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-7968?
Check Price and Availability of K781-7968, 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 K781-7968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-7968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-7968
  • 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 K781-7968 available by request