E456-2270 Screening compound: 4-(2,6-dimethylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one

E456-2270 Screening compound: 4-(2,6-dimethylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one
E456-2270 Screening compound: 4-(2,6-dimethylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-2270
4-(2,6-dimethylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one

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

E456-2270

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

4-(2,6-dimethylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one

IUPAC name

4-(26-dimethylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)-12-dihydroisoquinolin-1-one

SMILES

CC(CCCC1C)N1C(C(c1c2cccc1)=CN(c1cc(OC)ccc1)C2=O)=O

InChI

InChI=1S/C24H26N2O3/c1-16-8-6-9-17(2)26(16)24(28)22-15-25(18-10-7-11-19(14-18)29-3)23(27)21-13-5-4-12-20(21)22/h4-5,7,10-17H,6,8-9H2,1-3H3

InChI Key

NEUXUCZEQQUJSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.87

Polar Surface Area

38.170

Acid Dissociation Constant (pKa)

26.43

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

E456-2270 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E456-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-2270?
Check Price and Availability of E456-2270, 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 E456-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-2270
  • 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 E456-2270 available by request