S213-0022 Screening compound: N-CYCLOPROPYL-2-(4-METHYLPHENYL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE

S213-0022 Screening compound: N-CYCLOPROPYL-2-(4-METHYLPHENYL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE
S213-0022 Screening compound: N-CYCLOPROPYL-2-(4-METHYLPHENYL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0022
N-CYCLOPROPYL-2-(4-METHYLPHENYL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE

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

S213-0022

Molecular Formula

C17H23NO2 (C17 H23 NO2)

Compound Name

N-CYCLOPROPYL-2-(4-METHYLPHENYL)-N-[(OXOLAN-3-YL)METHYL]ACETAMIDE

IUPAC name

N-cyclopropyl-2-(4-methylphenyl)-N-[(oxolan-3-yl)methyl]acetamide

SMILES

Cc1ccc(CC(N(CC2COCC2)C2CC2)=O)cc1

InChI

InChI=1S/C17H23NO2/c1-13-2-4-14(5-3-13)10-17(19)18(16-6-7-16)11-15-8-9-20-12-15/h2-5,15-16H,6-12H2,1H3/t15-/m1/s1

InChI Key

SYFKBORRNPRARG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28995548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-2.99

Polar Surface Area

24.191

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S213-0022 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S213-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0022?
Check Price and Availability of S213-0022, 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 S213-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0022
  • 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 S213-0022 available by request