E640-0121 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-(2-phenylethyl)benzamide

E640-0121 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-(2-phenylethyl)benzamide
E640-0121 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-(2-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E640-0121
4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-(2-phenylethyl)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

E640-0121

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CN(CC(N2C3CCCC2)=O)C3=O)cc1)NCCc1ccccc1

InChI

InChI=1S/C24H27N3O3/c28-22-17-26(24(30)21-8-4-5-15-27(21)22)16-19-9-11-20(12-10-19)23(29)25-14-13-18-6-2-1-3-7-18/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,25,29)/t21-/m0/s1

InChI Key

SHQGNLYRYKCWIO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14906187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

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

1.507

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-2.16

Polar Surface Area

57.558

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E640-0121 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E640-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E640-0121?
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What is the minimum amount of E640-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E640-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E640-0121
  • 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 E640-0121 available by request