E640-0161 Screening compound: 4-[(1,4-DIOXOOCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL)METHYL]-N-(2-MORPHOLINOETHYL)BENZAMIDE

E640-0161 Screening compound: 4-[(1,4-DIOXOOCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL)METHYL]-N-(2-MORPHOLINOETHYL)BENZAMIDE
E640-0161 Screening compound: 4-[(1,4-DIOXOOCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL)METHYL]-N-(2-MORPHOLINOETHYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E640-0161
4-[(1,4-DIOXOOCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL)METHYL]-N-(2-MORPHOLINOETHYL)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

E640-0161

Molecular Formula

C22H30N4O4 (C22 H30 N4 O4)

Compound Name

4-[(1,4-DIOXOOCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL)METHYL]-N-(2-MORPHOLINOETHYL)BENZAMIDE

IUPAC name

n/a

SMILES

O=C(c1ccc(CN(CC(N2C3CCCC2)=O)C3=O)cc1)NCCN1CCOCC1

InChI

InChI=1S/C22H30N4O4/c27-20-16-25(22(29)19-3-1-2-9-26(19)20)15-17-4-6-18(7-5-17)21(28)23-8-10-24-11-13-30-14-12-24/h4-7,19H,1-3,8-16H2,(H,23,28)/t19-/m0/s1

InChI Key

DLYXOCRPMBXXAQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14906201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.354

Distribution Coefficient, logD

-0.369

Water Solubility, LogSw

-1.70

Polar Surface Area

69.449

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

E640-0161 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E640-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E640-0161?
Check Price and Availability of E640-0161, 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 E640-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E640-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E640-0161
  • 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 E640-0161 available by request