S423-0872 Screening compound: 1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-(4-methoxyphenyl)propan-1-one

S423-0872 Screening compound: 1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-(4-methoxyphenyl)propan-1-one
S423-0872 Screening compound: 1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0872
1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-(4-methoxyphenyl)propan-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

S423-0872

Molecular Formula

C19H27NO4 (C19 H27 NO4)

Compound Name

1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-(4-methoxyphenyl)propan-1-one

IUPAC name

1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-(4-methoxyphenyl)propan-1-one

SMILES

COc1ccc(CCC(N(CC2)CCC2(C2)OCCC2O)=O)cc1

InChI

InChI=1S/C19H27NO4/c1-23-17-5-2-15(3-6-17)4-7-18(22)20-11-9-19(10-12-20)14-16(21)8-13-24-19/h2-3,5-6,16,21H,4,7-14H2,1H3/t16-/m1/s1

InChI Key

KNRDXFBOPQEGPA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30460220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.768

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-1.99

Polar Surface Area

46.227

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S423-0872 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S423-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0872?
Check Price and Availability of S423-0872, 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 S423-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0872
  • 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 S423-0872 available by request