E640-0099 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)benzamide

E640-0099 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)benzamide
E640-0099 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E640-0099
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}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

E640-0099

Molecular Formula

C24H25N3O5 (C24 H25 N3 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-({14-dioxo-octahydro-1H-pyrido[12-a]pyrazin-2-yl}methyl)benzamide

SMILES

O=C(c1ccc(CN(CC(N2C3CCCC2)=O)C3=O)cc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H25N3O5/c28-22-14-26(24(30)19-3-1-2-10-27(19)22)13-16-4-7-18(8-5-16)23(29)25-12-17-6-9-20-21(11-17)32-15-31-20/h4-9,11,19H,1-3,10,12-15H2,(H,25,29)/t19-/m0/s1

InChI Key

DMQGWGUAKKLLQW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14906173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.486

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-2.25

Polar Surface Area

74.832

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E640-0099 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E640-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E640-0099?
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What is the minimum amount of E640-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E640-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E640-0099
  • 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 E640-0099 available by request