E731-0623 Screening compound: 9,10-diethoxy-3-(2-methylphenyl)-1H,2H,3H,4H,6H,7H,11bH-pyrimido[4,3-a]isoquinoline-2,4-dione

E731-0623 Screening compound: 9,10-diethoxy-3-(2-methylphenyl)-1H,2H,3H,4H,6H,7H,11bH-pyrimido[4,3-a]isoquinoline-2,4-dione
E731-0623 Screening compound: 9,10-diethoxy-3-(2-methylphenyl)-1H,2H,3H,4H,6H,7H,11bH-pyrimido[4,3-a]isoquinoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E731-0623
9,10-diethoxy-3-(2-methylphenyl)-1H,2H,3H,4H,6H,7H,11bH-pyrimido[4,3-a]isoquinoline-2,4-dione

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

E731-0623

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

9,10-diethoxy-3-(2-methylphenyl)-1H,2H,3H,4H,6H,7H,11bH-pyrimido[4,3-a]isoquinoline-2,4-dione

IUPAC name

910-diethoxy-3-(2-methylphenyl)-1H2H3H4H6H7H11bH-pyrimido[43-a]isoquinoline-24-dione

SMILES

CCOc1cc(CCN(C2CC(N3c4c(C)cccc4)=O)C3=O)c2cc1OCC

InChI

InChI=1S/C23H26N2O4/c1-4-28-20-12-16-10-11-24-19(17(16)13-21(20)29-5-2)14-22(26)25(23(24)27)18-9-7-6-8-15(18)3/h6-9,12-13,19H,4-5,10-11,14H2,1-3H3/t19-/m1/s1

InChI Key

YCTZJVQGGMHSNX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14913351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-3.02

Polar Surface Area

46.105

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E731-0623 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E731-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E731-0623?
Check Price and Availability of E731-0623, 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 E731-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E731-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E731-0623
  • 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 E731-0623 available by request