J032-0057 Screening compound: {[5-(3-chlorophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

J032-0057 Screening compound: {[5-(3-chlorophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine
J032-0057 Screening compound: {[5-(3-chlorophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J032-0057
{[5-(3-chlorophenyl)furan-2-yl]methyl}[(oxolan-2-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

J032-0057

Molecular Formula

C16H18ClNO2 (C16 H18 ClNO2)

Compound Name

{[5-(3-chlorophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

IUPAC name

{[5-(3-chlorophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

SMILES

Clc1cc(-c2ccc(CNCC3OCCC3)o2)ccc1

InChI

InChI=1S/C16H18ClNO2/c17-13-4-1-3-12(9-13)16-7-6-15(20-16)11-18-10-14-5-2-8-19-14/h1,3-4,6-7,9,14,18H,2,5,8,10-11H2/t14-/m1/s1

InChI Key

HJTPZEDYTAWLQR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07411480

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

291.78

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

3.429

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-3.61

Polar Surface Area

28.228

Acid Dissociation Constant (pKa)

26.14

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J032-0057 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J032-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J032-0057?
Check Price and Availability of J032-0057, 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 J032-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J032-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J032-0057
  • 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 J032-0057 available by request