K786-9831 Screening compound: 5-{1,4-DIOXA-8-AZASPIRO[4.5]DECANE-8-CARBONYL}-1-[(4-FLUOROPHENYL)METHYL]PYRROLIDIN-2-ONE

K786-9831 Screening compound: 5-{1,4-DIOXA-8-AZASPIRO[4.5]DECANE-8-CARBONYL}-1-[(4-FLUOROPHENYL)METHYL]PYRROLIDIN-2-ONE
K786-9831 Screening compound: 5-{1,4-DIOXA-8-AZASPIRO[4.5]DECANE-8-CARBONYL}-1-[(4-FLUOROPHENYL)METHYL]PYRROLIDIN-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9831
5-{1,4-DIOXA-8-AZASPIRO[4.5]DECANE-8-CARBONYL}-1-[(4-FLUOROPHENYL)METHYL]PYRROLIDIN-2-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

K786-9831

Molecular Formula

C19H23FN2O4 (C19 H23 FN2 O4)

Compound Name

5-{1,4-DIOXA-8-AZASPIRO[4.5]DECANE-8-CARBONYL}-1-[(4-FLUOROPHENYL)METHYL]PYRROLIDIN-2-ONE

IUPAC name

n/a

SMILES

O=C(C(CC1)N(Cc(cc2)ccc2F)C1=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C19H23FN2O4/c20-15-3-1-14(2-4-15)13-22-16(5-6-17(22)23)18(24)21-9-7-19(8-10-21)25-11-12-26-19/h1-4,16H,5-13H2/t16-/m0/s1

InChI Key

AMFHCDSDIZQYEU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15102415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.740

Distribution Coefficient, logD

0.740

Water Solubility, LogSw

-1.44

Polar Surface Area

48.099

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

K786-9831 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-9831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9831?
Check Price and Availability of K786-9831, 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 K786-9831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9831
  • 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 K786-9831 available by request