D665-0702 Screening compound: {[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}[3-(methylamino)propyl]amine

D665-0702 Screening compound: {[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}[3-(methylamino)propyl]amine
D665-0702 Screening compound: {[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}[3-(methylamino)propyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D665-0702
{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}[3-(methylamino)propyl]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

D665-0702

Molecular Formula

C15H18ClFN2O (C15 H18 ClFN2 O)

Compound Name

{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}[3-(methylamino)propyl]amine

IUPAC name

{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}[3-(methylamino)propyl]amine

SMILES

CNCCCNCc1ccc(-c(cc2)cc(Cl)c2F)o1

InChI

InChI=1S/C15H18ClFN2O/c1-18-7-2-8-19-10-12-4-6-15(20-12)11-3-5-14(17)13(16)9-11/h3-6,9,18-19H,2,7-8,10H2,1H3

InChI Key

XDUBSWOVTNZHSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07397639

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

296.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

-0.299

Water Solubility, LogSw

-3.44

Polar Surface Area

31.503

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D665-0702 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D

References: we are preparing a list of scientific research reports with D665-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D665-0702?
Check Price and Availability of D665-0702, 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 D665-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D665-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D665-0702
  • 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 D665-0702 available by request