D665-0179 Screening compound: 2-({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)ethan-1-ol

D665-0179 Screening compound: 2-({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)ethan-1-ol
D665-0179 Screening compound: 2-({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D665-0179
2-({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)ethan-1-ol

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

D665-0179

Molecular Formula

C13H13Cl2NO2 (C13 H13 Cl2 NO2)

Compound Name

2-({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)ethan-1-ol

IUPAC name

2-({[5-(25-dichlorophenyl)furan-2-yl]methyl}amino)ethan-1-ol

SMILES

OCCNCc1ccc(-c(cc(cc2)Cl)c2Cl)o1

InChI

InChI=1S/C13H13Cl2NO2/c14-9-1-3-12(15)11(7-9)13-4-2-10(18-13)8-16-5-6-17/h1-4,7,16-17H,5-6,8H2

InChI Key

APPUUTIMRACOJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07397557

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

286.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-3.54

Polar Surface Area

36.343

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D665-0179 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D665-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D665-0179?
Check Price and Availability of D665-0179, 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 D665-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D665-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D665-0179
  • 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 D665-0179 available by request