C378-0450 Screening compound: ethyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]piperidine-1-carboxylate

C378-0450 Screening compound: ethyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]piperidine-1-carboxylate
C378-0450 Screening compound: ethyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0450
ethyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]piperidine-1-carboxylate

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

C378-0450

Molecular Formula

C25H26N2O5 (C25 H26 N2 O5)

Compound Name

ethyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C(O1)=C(c2ccc(C)cc2)c(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C25H26N2O5/c1-3-31-25(30)27-14-12-18(13-15-27)26-23(28)22-21(17-10-8-16(2)9-11-17)19-6-4-5-7-20(19)24(29)32-22/h4-11,18H,3,12-15H2,1-2H3,(H,26,28)

InChI Key

AXWCQZKYIGPHEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-4.01

Polar Surface Area

67.887

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C378-0450 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C378-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0450?
Check Price and Availability of C378-0450, 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 C378-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0450
  • 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 C378-0450 available by request