S213-0098 Screening compound: 2-(4-chlorophenyl)-N~1~-cyclopropyl-N~1~-(tetrahydro-3-furanylmethyl)acetamide

S213-0098 Screening compound: 2-(4-chlorophenyl)-N~1~-cyclopropyl-N~1~-(tetrahydro-3-furanylmethyl)acetamide
S213-0098 Screening compound: 2-(4-chlorophenyl)-N~1~-cyclopropyl-N~1~-(tetrahydro-3-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0098
2-(4-chlorophenyl)-N~1~-cyclopropyl-N~1~-(tetrahydro-3-furanylmethyl)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

S213-0098

Molecular Formula

C16H20ClNO2 (C16 H20 ClNO2)

Compound Name

2-(4-chlorophenyl)-N~1~-cyclopropyl-N~1~-(tetrahydro-3-furanylmethyl)acetamide

IUPAC name

2-(4-chlorophenyl)-N-cyclopropyl-N-[(oxolan-3-yl)methyl]acetamide

SMILES

O=C(Cc(cc1)ccc1Cl)N(CC1COCC1)C1CC1

InChI

InChI=1S/C16H20ClNO2/c17-14-3-1-12(2-4-14)9-16(19)18(15-5-6-15)10-13-7-8-20-11-13/h1-4,13,15H,5-11H2/t13-/m1/s1

InChI Key

HKBPQFIYTYFHEI-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD28995537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.43

Polar Surface Area

24.191

Acid Dissociation Constant (pKa)

18.32

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S213-0098 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S213-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0098?
Check Price and Availability of S213-0098, 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 S213-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0098
  • 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 S213-0098 available by request