K786-8645 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-(2-phenylethyl)pyrrolidin-2-one

K786-8645 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-(2-phenylethyl)pyrrolidin-2-one
K786-8645 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-(2-phenylethyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8645
4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-(2-phenylethyl)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

K786-8645

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-(2-phenylethyl)pyrrolidin-2-one

IUPAC name

4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-(2-phenylethyl)pyrrolidin-2-one

SMILES

O=C(C(C1)CN(CCc2ccccc2)C1=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C20H26N2O4/c23-18-14-17(15-22(18)9-6-16-4-2-1-3-5-16)19(24)21-10-7-20(8-11-21)25-12-13-26-20/h1-5,17H,6-15H2/t17-/m1/s1

InChI Key

IBHICYGQKUUYKF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD15101962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.711

Distribution Coefficient, logD

0.711

Water Solubility, LogSw

-1.19

Polar Surface Area

48.498

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

K786-8645 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)

Eccentric PPI Library (11937 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 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
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K786-8645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8645?
Check Price and Availability of K786-8645, 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 K786-8645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8645
  • 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 K786-8645 available by request