S213-0362 Screening compound: 3,5-difluoro-N~1~-(1-methyl-4-piperidyl)-N~1~-(tetrahydro-3-furanylmethyl)benzamide

S213-0362 Screening compound: 3,5-difluoro-N~1~-(1-methyl-4-piperidyl)-N~1~-(tetrahydro-3-furanylmethyl)benzamide
S213-0362 Screening compound: 3,5-difluoro-N~1~-(1-methyl-4-piperidyl)-N~1~-(tetrahydro-3-furanylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0362
3,5-difluoro-N~1~-(1-methyl-4-piperidyl)-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

S213-0362

Molecular Formula

C18H24F2N2O2 (C18 H24 F2 N2 O2)

Compound Name

3,5-difluoro-N~1~-(1-methyl-4-piperidyl)-N~1~-(tetrahydro-3-furanylmethyl)benzamide

IUPAC name

35-difluoro-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]benzamide

SMILES

CN(CC1)CCC1N(CC1COCC1)C(c1cc(F)cc(F)c1)=O

InChI

InChI=1S/C18H24F2N2O2/c1-21-5-2-17(3-6-21)22(11-13-4-7-24-12-13)18(23)14-8-15(19)10-16(20)9-14/h8-10,13,17H,2-7,11-12H2,1H3/t13-/m1/s1

InChI Key

IMIDKVNYWSCFEN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27617733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

0.497

Water Solubility, LogSw

-2.53

Polar Surface Area

27.864

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S213-0362 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S213-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0362?
Check Price and Availability of S213-0362, 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 S213-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0362
  • 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 S213-0362 available by request