J088-0117 Screening compound: N-(3,5-dimethylphenyl)-5-{[(4-methylphenyl)formamido]methyl}furan-2-carboxamide

J088-0117 Screening compound: N-(3,5-dimethylphenyl)-5-{[(4-methylphenyl)formamido]methyl}furan-2-carboxamide
J088-0117 Screening compound: N-(3,5-dimethylphenyl)-5-{[(4-methylphenyl)formamido]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J088-0117
N-(3,5-dimethylphenyl)-5-{[(4-methylphenyl)formamido]methyl}furan-2-carboxamide

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

J088-0117

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

N-(3,5-dimethylphenyl)-5-{[(4-methylphenyl)formamido]methyl}furan-2-carboxamide

IUPAC name

N-(35-dimethylphenyl)-5-{[(4-methylphenyl)formamido]methyl}furan-2-carboxamide

SMILES

Cc(cc1)ccc1C(NCc1ccc(C(Nc2cc(C)cc(C)c2)=O)o1)=O

InChI

InChI=1S/C22H22N2O3/c1-14-4-6-17(7-5-14)21(25)23-13-19-8-9-20(27-19)22(26)24-18-11-15(2)10-16(3)12-18/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)

InChI Key

VPJSMILXMFLOQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.708

Distribution Coefficient, logD

4.708

Water Solubility, LogSw

-4.33

Polar Surface Area

55.584

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J088-0117 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J088-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J088-0117?
Check Price and Availability of J088-0117, 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 J088-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J088-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J088-0117
  • 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 J088-0117 available by request