S213-0059 Screening compound: N~1~-cyclopropyl-2,5-difluoro-N~1~-(tetrahydro-3-furanylmethyl)benzamide

S213-0059 Screening compound: N~1~-cyclopropyl-2,5-difluoro-N~1~-(tetrahydro-3-furanylmethyl)benzamide
S213-0059 Screening compound: N~1~-cyclopropyl-2,5-difluoro-N~1~-(tetrahydro-3-furanylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0059
N~1~-cyclopropyl-2,5-difluoro-N~1~-(tetrahydro-3-furanylmethyl)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

S213-0059

Molecular Formula

C15H17F2NO2 (C15 H17 F2 NO2)

Compound Name

N~1~-cyclopropyl-2,5-difluoro-N~1~-(tetrahydro-3-furanylmethyl)benzamide

IUPAC name

N-cyclopropyl-25-difluoro-N-[(oxolan-3-yl)methyl]benzamide

SMILES

O=C(c(cc(cc1)F)c1F)N(CC1COCC1)C1CC1

InChI

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

InChI Key

WRFVBYOKZCOZEE-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD28995555

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

2.952

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-3.31

Polar Surface Area

24.718

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

S213-0059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S213-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0059?
Check Price and Availability of S213-0059, 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 S213-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0059
  • 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 S213-0059 available by request