E640-0240 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-[(4-ethylphenyl)methyl]benzamide

E640-0240 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-[(4-ethylphenyl)methyl]benzamide
E640-0240 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-[(4-ethylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E640-0240
4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-[(4-ethylphenyl)methyl]benzamide

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

E640-0240

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-[(4-ethylphenyl)methyl]benzamide

IUPAC name

4-({14-dioxo-octahydro-1H-pyrido[12-a]pyrazin-2-yl}methyl)-N-[(4-ethylphenyl)methyl]benzamide

SMILES

CCc1ccc(CNC(c2ccc(CN(CC(N3C4CCCC3)=O)C4=O)cc2)=O)cc1

InChI

InChI=1S/C25H29N3O3/c1-2-18-6-8-19(9-7-18)15-26-24(30)21-12-10-20(11-13-21)16-27-17-23(29)28-14-4-3-5-22(28)25(27)31/h6-13,22H,2-5,14-17H2,1H3,(H,26,30)/t22-/m0/s1

InChI Key

IHHAJNMWDSEKPY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14906220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.504

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-2.67

Polar Surface Area

57.716

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E640-0240 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E640-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E640-0240?
Check Price and Availability of E640-0240, 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 E640-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E640-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E640-0240
  • 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 E640-0240 available by request