8018-5477 Screening compound: N~1~-[4-(2-pyridylmethyl)phenyl]-1-cyclopropanecarboxamide

8018-5477 Screening compound: N~1~-[4-(2-pyridylmethyl)phenyl]-1-cyclopropanecarboxamide
8018-5477 Screening compound: N~1~-[4-(2-pyridylmethyl)phenyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5477
N~1~-[4-(2-pyridylmethyl)phenyl]-1-cyclopropanecarboxamide

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

8018-5477

Molecular Formula

C16H16N2O (C16 H16 N2 O)

Compound Name

N~1~-[4-(2-pyridylmethyl)phenyl]-1-cyclopropanecarboxamide

IUPAC name

N-{4-[(pyridin-2-yl)methyl]phenyl}cyclopropanecarboxamide

SMILES

O=C(C1CC1)Nc1ccc(Cc2ncccc2)cc1

InChI

InChI=1S/C16H16N2O/c19-16(13-6-7-13)18-14-8-4-12(5-9-14)11-15-3-1-2-10-17-15/h1-5,8-10,13H,6-7,11H2,(H,18,19)

InChI Key

DANGOTPBUDOAFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-2.96

Polar Surface Area

33.124

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8018-5477 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-5477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5477?
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What is the minimum amount of 8018-5477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5477
  • 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 8018-5477 available by request