S213-0026 Screening compound: N~1~-cyclopropyl-4-fluoro-N~1~-(tetrahydro-3-furanylmethyl)benzamide

S213-0026 Screening compound: N~1~-cyclopropyl-4-fluoro-N~1~-(tetrahydro-3-furanylmethyl)benzamide
S213-0026 Screening compound: N~1~-cyclopropyl-4-fluoro-N~1~-(tetrahydro-3-furanylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0026
N~1~-cyclopropyl-4-fluoro-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

S213-0026

Molecular Formula

C15H18FNO2 (C15 H18 FNO2)

Compound Name

N~1~-cyclopropyl-4-fluoro-N~1~-(tetrahydro-3-furanylmethyl)benzamide

IUPAC name

n/a

SMILES

O=C(c(cc1)ccc1F)N(CC1COCC1)C1CC1

InChI

InChI=1S/C15H18FNO2/c16-13-3-1-12(2-4-13)15(18)17(14-5-6-14)9-11-7-8-19-10-11/h1-4,11,14H,5-10H2/t11-/m1/s1

InChI Key

AJDWJTTWCAUNIH-LLVKDONJSA-N

MDL Number (MFCD)

MFCD13171361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.31

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

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-2.68

Polar Surface Area

24.718

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

S213-0026 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

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

References: we are preparing a list of scientific research reports with S213-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0026?
Check Price and Availability of S213-0026, 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 S213-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0026
  • 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 S213-0026 available by request