J032-0162 Screening compound: {[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

J032-0162 Screening compound: {[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine
J032-0162 Screening compound: {[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J032-0162
{[5-(3-chloro-4-methoxyphenyl)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

J032-0162

Molecular Formula

C17H20ClNO3 (C17 H20 ClNO3)

Compound Name

{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

IUPAC name

{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

SMILES

COc(ccc(-c1ccc(CNCC2OCCC2)o1)c1)c1Cl

InChI

InChI=1S/C17H20ClNO3/c1-20-17-6-4-12(9-15(17)18)16-7-5-14(22-16)11-19-10-13-3-2-8-21-13/h4-7,9,13,19H,2-3,8,10-11H2,1H3/t13-/m1/s1

InChI Key

LZZIUJXMYFZAIZ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07434286

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

321.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.47

Polar Surface Area

35.859

Acid Dissociation Constant (pKa)

26.14

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

J032-0162 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J032-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J032-0162?
Check Price and Availability of J032-0162, 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 J032-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J032-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J032-0162
  • 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 J032-0162 available by request