J032-0245 Screening compound: {[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine

J032-0245 Screening compound: {[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine
J032-0245 Screening compound: {[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J032-0245
{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine

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

J032-0245

Molecular Formula

C18H17ClN2O (C18 H17 ClN2 O)

Compound Name

{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine

IUPAC name

{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}[(pyridin-3-yl)methyl]amine

SMILES

Cc(c(-c1ccc(CNCc2cnccc2)o1)ccc1)c1Cl

InChI

InChI=1S/C18H17ClN2O/c1-13-16(5-2-6-17(13)19)18-8-7-15(22-18)12-21-11-14-4-3-9-20-10-14/h2-10,21H,11-12H2,1H3

InChI Key

CRTCRDWZUFSHCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434362

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

312.8

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

3.823

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.20

Polar Surface Area

29.092

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J032-0245 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J032-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J032-0245?
Check Price and Availability of J032-0245, 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 J032-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J032-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J032-0245
  • 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 J032-0245 available by request