S423-0221 Screening compound: 4-(cyclopropylmethoxy)-N-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

S423-0221 Screening compound: 4-(cyclopropylmethoxy)-N-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
S423-0221 Screening compound: 4-(cyclopropylmethoxy)-N-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0221
4-(cyclopropylmethoxy)-N-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

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

S423-0221

Molecular Formula

C22H32N2O4 (C22 H32 N2 O4)

Compound Name

4-(cyclopropylmethoxy)-N-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

IUPAC name

4-(cyclopropylmethoxy)-N-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SMILES

COc1ccc(CNC(N(CC2)CCC2(C2)OCCC2OCC2CC2)=O)cc1

InChI

InChI=1S/C22H32N2O4/c1-26-19-6-4-17(5-7-19)15-23-21(25)24-11-9-22(10-12-24)14-20(8-13-28-22)27-16-18-2-3-18/h4-7,18,20H,2-3,8-16H2,1H3,(H,23,25)/t20-/m1/s1

InChI Key

AZTIVPANJAUJFN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD29006196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.66

Polar Surface Area

48.440

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

S423-0221 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S423-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0221?
Check Price and Availability of S423-0221, 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 S423-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0221
  • 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 S423-0221 available by request