E456-2105 Screening compound: ethyl 4-[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate

E456-2105 Screening compound: ethyl 4-[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate
E456-2105 Screening compound: ethyl 4-[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-2105
ethyl 4-[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazine-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

E456-2105

Molecular Formula

C24H25N3O5 (C24 H25 N3 O5)

Compound Name

ethyl 4-[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(3-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(c1c2cccc1)=CN(c1cc(OC)ccc1)C2=O)=O)=O

InChI

InChI=1S/C24H25N3O5/c1-3-32-24(30)26-13-11-25(12-14-26)22(28)21-16-27(17-7-6-8-18(15-17)31-2)23(29)20-10-5-4-9-19(20)21/h4-10,15-16H,3,11-14H2,1-2H3

InChI Key

KNIBAMFYXQUSOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-2.79

Polar Surface Area

62.727

Acid Dissociation Constant (pKa)

29.42

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with E456-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-2105?
Check Price and Availability of E456-2105, 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 E456-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-2105
  • 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 E456-2105 available by request