J048-0141 Screening compound: methyl 4-{3-[5-(4-chlorophenyl)furan-2-yl]propanamido}benzoate

J048-0141 Screening compound: methyl 4-{3-[5-(4-chlorophenyl)furan-2-yl]propanamido}benzoate
J048-0141 Screening compound: methyl 4-{3-[5-(4-chlorophenyl)furan-2-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J048-0141
methyl 4-{3-[5-(4-chlorophenyl)furan-2-yl]propanamido}benzoate

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

J048-0141

Molecular Formula

C21H18ClNO4 (C21 H18 ClNO4)

Compound Name

methyl 4-{3-[5-(4-chlorophenyl)furan-2-yl]propanamido}benzoate

IUPAC name

methyl 4-{3-[5-(4-chlorophenyl)furan-2-yl]propanamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CCc1ccc(-c(cc2)ccc2Cl)o1)=O)=O

InChI

InChI=1S/C21H18ClNO4/c1-26-21(25)15-4-8-17(9-5-15)23-20(24)13-11-18-10-12-19(27-18)14-2-6-16(22)7-3-14/h2-10,12H,11,13H2,1H3,(H,23,24)

InChI Key

IYMZLQOXJUFLPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

5.032

Water Solubility, LogSw

-5.17

Polar Surface Area

51.860

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J048-0141 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J048-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J048-0141?
Check Price and Availability of J048-0141, 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 J048-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J048-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J048-0141
  • 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 J048-0141 available by request