D586-0081 Screening compound: 3-[5-(3,4-dimethylphenyl)furan-2-yl]-N-phenylpropanamide

D586-0081 Screening compound: 3-[5-(3,4-dimethylphenyl)furan-2-yl]-N-phenylpropanamide
D586-0081 Screening compound: 3-[5-(3,4-dimethylphenyl)furan-2-yl]-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D586-0081
3-[5-(3,4-dimethylphenyl)furan-2-yl]-N-phenylpropanamide

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

D586-0081

Molecular Formula

C21H21NO2 (C21 H21 NO2)

Compound Name

3-[5-(3,4-dimethylphenyl)furan-2-yl]-N-phenylpropanamide

IUPAC name

3-[5-(34-dimethylphenyl)furan-2-yl]-N-phenylpropanamide

SMILES

Cc(cc1)c(C)cc1-c1ccc(CCC(Nc2ccccc2)=O)o1

InChI

InChI=1S/C21H21NO2/c1-15-8-9-17(14-16(15)2)20-12-10-19(24-20)11-13-21(23)22-18-6-4-3-5-7-18/h3-10,12,14H,11,13H2,1-2H3,(H,22,23)

InChI Key

ADPQXMNGTUWNQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-4.63

Polar Surface Area

30.686

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D586-0081 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D586-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D586-0081?
Check Price and Availability of D586-0081, 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 D586-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D586-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D586-0081
  • 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 D586-0081 available by request