E679-0346 Screening compound: 4-benzyl-N-(2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)tetrahydro-1(2H)-pyridinecarboxamide

E679-0346 Screening compound: 4-benzyl-N-(2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)tetrahydro-1(2H)-pyridinecarboxamide
E679-0346 Screening compound: 4-benzyl-N-(2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0346
4-benzyl-N-(2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)tetrahydro-1(2H)-pyridinecarboxamide

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

E679-0346

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

4-benzyl-N-(2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

4-benzyl-N-(2-methyl-1-oxo-12-dihydroisoquinolin-4-yl)piperidine-1-carboxamide

SMILES

CN(C=C(c1c2cccc1)NC(N1CCC(Cc3ccccc3)CC1)=O)C2=O

InChI

InChI=1S/C23H25N3O2/c1-25-16-21(19-9-5-6-10-20(19)22(25)27)24-23(28)26-13-11-18(12-14-26)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,24,28)

InChI Key

ANGDBJJPEZOHBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.83

Polar Surface Area

42.348

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

E679-0346 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 E679-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0346?
Check Price and Availability of E679-0346, 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 E679-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0346
  • 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 E679-0346 available by request