S213-1790 Screening compound: 2-(3-chlorophenyl)-N-methyl-N-[(oxolan-3-yl)methyl]acetamide

S213-1790 Screening compound: 2-(3-chlorophenyl)-N-methyl-N-[(oxolan-3-yl)methyl]acetamide
S213-1790 Screening compound: 2-(3-chlorophenyl)-N-methyl-N-[(oxolan-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1790
2-(3-chlorophenyl)-N-methyl-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

S213-1790

Molecular Formula

C14H18ClNO2 (C14 H18 ClNO2)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1COCC1)C(Cc1cccc(Cl)c1)=O

InChI

InChI=1S/C14H18ClNO2/c1-16(9-12-5-6-18-10-12)14(17)8-11-3-2-4-13(15)7-11/h2-4,7,12H,5-6,8-10H2,1H3/t12-/m1/s1

InChI Key

KASFTBUTFGRJQQ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29003944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.514

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-3.04

Polar Surface Area

24.826

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S213-1790 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S213-1790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1790?
Check Price and Availability of S213-1790, 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 S213-1790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1790
  • 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 S213-1790 available by request