S213-0404 Screening compound: N-(1-methyl-4-piperidyl)-N-(tetrahydro-3-furanylmethyl)-3-thiophenecarboxamide

S213-0404 Screening compound: N-(1-methyl-4-piperidyl)-N-(tetrahydro-3-furanylmethyl)-3-thiophenecarboxamide
S213-0404 Screening compound: N-(1-methyl-4-piperidyl)-N-(tetrahydro-3-furanylmethyl)-3-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0404
N-(1-methyl-4-piperidyl)-N-(tetrahydro-3-furanylmethyl)-3-thiophenecarboxamide

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

S213-0404

Molecular Formula

C16H24N2O2S (C16 H24 N2 O2 S)

Compound Name

N-(1-methyl-4-piperidyl)-N-(tetrahydro-3-furanylmethyl)-3-thiophenecarboxamide

IUPAC name

N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]thiophene-3-carboxamide

SMILES

CN(CC1)CCC1N(CC1COCC1)C(c1cscc1)=O

InChI

InChI=1S/C16H24N2O2S/c1-17-6-2-15(3-7-17)18(10-13-4-8-20-11-13)16(19)14-5-9-21-12-14/h5,9,12-13,15H,2-4,6-8,10-11H2,1H3/t13-/m1/s1

InChI Key

VPOYTDYCFIKBAM-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD28995574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.44

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

1.929

Distribution Coefficient, logD

-0.159

Water Solubility, LogSw

-2.21

Polar Surface Area

28.882

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S213-0404 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 S213-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0404?
Check Price and Availability of S213-0404, 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 S213-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0404
  • 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 S213-0404 available by request