S213-0049 Screening compound: N-cyclopropyl-2,6-difluoro-N-[(oxolan-3-yl)methyl]benzamide

S213-0049 Screening compound: N-cyclopropyl-2,6-difluoro-N-[(oxolan-3-yl)methyl]benzamide
S213-0049 Screening compound: N-cyclopropyl-2,6-difluoro-N-[(oxolan-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0049
N-cyclopropyl-2,6-difluoro-N-[(oxolan-3-yl)methyl]benzamide

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

S213-0049

Molecular Formula

C15H17F2NO2 (C15 H17 F2 NO2)

Compound Name

N-cyclopropyl-2,6-difluoro-N-[(oxolan-3-yl)methyl]benzamide

IUPAC name

N-cyclopropyl-26-difluoro-N-[(oxolan-3-yl)methyl]benzamide

SMILES

O=C(c(c(F)ccc1)c1F)N(CC1COCC1)C1CC1

InChI

InChI=1S/C15H17F2NO2/c16-12-2-1-3-13(17)14(12)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,10-11H,4-9H2/t10-/m1/s1

InChI Key

SAQWDPZNAPACNF-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD30462335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.3

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

2.603

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-2.54

Polar Surface Area

24.718

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

S213-0049 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S213-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0049?
Check Price and Availability of S213-0049, 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 S213-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0049
  • 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 S213-0049 available by request