S213-0007 Screening compound: N-cyclopropyl-2-(2-methoxyphenyl)-N-[(oxolan-3-yl)methyl]acetamide

S213-0007 Screening compound: N-cyclopropyl-2-(2-methoxyphenyl)-N-[(oxolan-3-yl)methyl]acetamide
S213-0007 Screening compound: N-cyclopropyl-2-(2-methoxyphenyl)-N-[(oxolan-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0007
N-cyclopropyl-2-(2-methoxyphenyl)-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

S213-0007

Molecular Formula

C17H23NO3 (C17 H23 NO3)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CC(N(CC2COCC2)C2CC2)=O)cccc1

InChI

InChI=1S/C17H23NO3/c1-20-16-5-3-2-4-14(16)10-17(19)18(15-6-7-15)11-13-8-9-21-12-13/h2-5,13,15H,6-12H2,1H3/t13-/m1/s1

InChI Key

HIMXSWWDLUCMPE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27617728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.03

Polar Surface Area

31.821

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

S213-0007 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S213-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0007?
Check Price and Availability of S213-0007, 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 S213-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0007
  • 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 S213-0007 available by request