J048-0092 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide

J048-0092 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
J048-0092 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J048-0092
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide

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

J048-0092

Molecular Formula

C20H17ClFNO3 (C20 H17 ClFNO3)

Compound Name

N-(3-chloro-4-methoxyphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide

SMILES

COc(ccc(NC(CCc1ccc(-c(cc2)ccc2F)o1)=O)c1)c1Cl

InChI

InChI=1S/C20H17ClFNO3/c1-25-19-9-6-15(12-17(19)21)23-20(24)11-8-16-7-10-18(26-16)13-2-4-14(22)5-3-13/h2-7,9-10,12H,8,11H2,1H3,(H,23,24)

InChI Key

ORCSBTOVJYMVOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.886

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-5.01

Polar Surface Area

38.316

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

J048-0092 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J048-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J048-0092?
Check Price and Availability of J048-0092, 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 J048-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J048-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J048-0092
  • 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 J048-0092 available by request