K784-0668 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(2-ethoxyphenyl)-2-fluorobenzamide

K784-0668 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(2-ethoxyphenyl)-2-fluorobenzamide
K784-0668 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(2-ethoxyphenyl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-0668
5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(2-ethoxyphenyl)-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

K784-0668

Molecular Formula

C22H25FN2O6S (C22 H25 FN2 O6 S)

Compound Name

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

IUPAC name

5-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(2-ethoxyphenyl)-2-fluorobenzamide

SMILES

CCOc(cccc1)c1NC(c(cc(cc1)S(N(CC2)CCC22OCCO2)(=O)=O)c1F)=O

InChI

InChI=1S/C22H25FN2O6S/c1-2-29-20-6-4-3-5-19(20)24-21(26)17-15-16(7-8-18(17)23)32(27,28)25-11-9-22(10-12-25)30-13-14-31-22/h3-8,15H,2,9-14H2,1H3,(H,24,26)

InChI Key

SOIBFMCZRRZWLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.67

Polar Surface Area

75.990

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

K784-0668 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K784-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-0668?
Check Price and Availability of K784-0668, 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 K784-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-0668
  • 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 K784-0668 available by request