S213-0112 Screening compound: N~3~-cyclopropyl-6-methoxy-N~3~-(tetrahydro-3-furanylmethyl)nicotinamide

S213-0112 Screening compound: N~3~-cyclopropyl-6-methoxy-N~3~-(tetrahydro-3-furanylmethyl)nicotinamide
S213-0112 Screening compound: N~3~-cyclopropyl-6-methoxy-N~3~-(tetrahydro-3-furanylmethyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0112
N~3~-cyclopropyl-6-methoxy-N~3~-(tetrahydro-3-furanylmethyl)nicotinamide

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

S213-0112

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

N~3~-cyclopropyl-6-methoxy-N~3~-(tetrahydro-3-furanylmethyl)nicotinamide

IUPAC name

N-cyclopropyl-6-methoxy-N-[(oxolan-3-yl)methyl]pyridine-3-carboxamide

SMILES

COc(cc1)ncc1C(N(CC1COCC1)C1CC1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.03

Polar Surface Area

41.300

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S213-0112 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Eye
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S213-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0112?
Check Price and Availability of S213-0112, 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 S213-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0112
  • 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 S213-0112 available by request