G856-4766 Screening compound: 8-cyclopentanecarbonyl-4-(2,4,6-trimethylbenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

G856-4766 Screening compound: 8-cyclopentanecarbonyl-4-(2,4,6-trimethylbenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
G856-4766 Screening compound: 8-cyclopentanecarbonyl-4-(2,4,6-trimethylbenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4766
8-cyclopentanecarbonyl-4-(2,4,6-trimethylbenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

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

G856-4766

Molecular Formula

C22H32N2O4S (C22 H32 N2 O4 S)

Compound Name

8-cyclopentanecarbonyl-4-(2,4,6-trimethylbenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

IUPAC name

8-cyclopentanecarbonyl-4-(246-trimethylbenzenesulfonyl)-1-oxa-48-diazaspiro[4.5]decane

SMILES

Cc(cc1C)cc(C)c1S(N1C(CC2)(CCN2C(C2CCCC2)=O)OCC1)(=O)=O

InChI

InChI=1S/C22H32N2O4S/c1-16-14-17(2)20(18(3)15-16)29(26,27)24-12-13-28-22(24)8-10-23(11-9-22)21(25)19-6-4-5-7-19/h14-15,19H,4-13H2,1-3H3

InChI Key

ISDGCUVGTQPREY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.611

Distribution Coefficient, logD

3.611

Water Solubility, LogSw

-3.64

Polar Surface Area

56.134

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

G856-4766 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G856-4766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4766?
Check Price and Availability of G856-4766, 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 G856-4766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4766
  • 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 G856-4766 available by request