6541-0220 Screening compound: 4-HYDROXY-3,4-DIPHENYL-2-OXASPIRO[4.5]DECAN-1-ONE

6541-0220 Screening compound: 4-HYDROXY-3,4-DIPHENYL-2-OXASPIRO[4.5]DECAN-1-ONE
6541-0220 Screening compound: 4-HYDROXY-3,4-DIPHENYL-2-OXASPIRO[4.5]DECAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6541-0220
4-HYDROXY-3,4-DIPHENYL-2-OXASPIRO[4.5]DECAN-1-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

6541-0220

Molecular Formula

C21H22O3 (C21 H22 O3)

Compound Name

4-HYDROXY-3,4-DIPHENYL-2-OXASPIRO[4.5]DECAN-1-ONE

IUPAC name

n/a

SMILES

OC(C(c1ccccc1)O1)(C2(CCCCC2)C1=O)c1ccccc1

InChI

InChI=1S/C21H22O3/c22-19-20(14-8-3-9-15-20)21(23,17-12-6-2-7-13-17)18(24-19)16-10-4-1-5-11-16/h1-2,4-7,10-13,18,23H,3,8-9,14-15H2

InChI Key

CMGWOXVVGCJYDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.19

Polar Surface Area

36.586

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

6541-0220 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6541-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6541-0220?
Check Price and Availability of 6541-0220, 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 6541-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6541-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6541-0220
  • 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 6541-0220 available by request