S213-1389 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[(oxolan-3-yl)methyl]-N-propylacetamide

S213-1389 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[(oxolan-3-yl)methyl]-N-propylacetamide
S213-1389 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[(oxolan-3-yl)methyl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1389
2-(2-chloro-6-fluorophenyl)-N-[(oxolan-3-yl)methyl]-N-propylacetamide

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

S213-1389

Molecular Formula

C16H21ClFNO2 (C16 H21 ClFNO2)

Compound Name

2-(2-chloro-6-fluorophenyl)-N-[(oxolan-3-yl)methyl]-N-propylacetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-[(oxolan-3-yl)methyl]-N-propylacetamide

SMILES

CCCN(CC1COCC1)C(Cc(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C16H21ClFNO2/c1-2-7-19(10-12-6-8-21-11-12)16(20)9-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3/t12-/m1/s1

InChI Key

ORYBHQCCTJODQW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29003323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.477

Water Solubility, LogSw

-3.73

Polar Surface Area

24.865

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S213-1389 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S213-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1389?
Check Price and Availability of S213-1389, 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 S213-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1389
  • 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 S213-1389 available by request