J048-0268 Screening compound: 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

J048-0268 Screening compound: 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
J048-0268 Screening compound: 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J048-0268
3-[5-(4-methoxyphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]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

J048-0268

Molecular Formula

C21H18F3NO3 (C21 H18 F3 NO3)

Compound Name

3-[5-(4-methoxyphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

IUPAC name

3-[5-(4-methoxyphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

SMILES

COc(cc1)ccc1-c1ccc(CCC(Nc2cccc(C(F)(F)F)c2)=O)o1

InChI

InChI=1S/C21H18F3NO3/c1-27-17-7-5-14(6-8-17)19-11-9-18(28-19)10-12-20(26)25-16-4-2-3-15(13-16)21(22,23)24/h2-9,11,13H,10,12H2,1H3,(H,25,26)

InChI Key

FQARDLYJJUJJID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.372

Distribution Coefficient, logD

5.371

Water Solubility, LogSw

-5.58

Polar Surface Area

38.230

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

J048-0268 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J048-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J048-0268?
Check Price and Availability of J048-0268, 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 J048-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J048-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J048-0268
  • 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 J048-0268 available by request