C378-0460 Screening compound: N-(3-ethoxypropyl)-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide

C378-0460 Screening compound: N-(3-ethoxypropyl)-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide
C378-0460 Screening compound: N-(3-ethoxypropyl)-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0460
N-(3-ethoxypropyl)-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-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

C378-0460

Molecular Formula

C22H23NO4 (C22 H23 NO4)

Compound Name

N-(3-ethoxypropyl)-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide

IUPAC name

N-(3-ethoxypropyl)-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide

SMILES

CCOCCCNC(C(O1)=C(c2ccc(C)cc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C22H23NO4/c1-3-26-14-6-13-23-21(24)20-19(16-11-9-15(2)10-12-16)17-7-4-5-8-18(17)22(25)27-20/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,23,24)

InChI Key

WMCCHQYYZLWWFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

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

3.369

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-3.77

Polar Surface Area

53.472

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C378-0460 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C378-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0460?
Check Price and Availability of C378-0460, 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 C378-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0460
  • 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 C378-0460 available by request