E640-0119 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-(3-methylbutyl)benzamide

E640-0119 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-(3-methylbutyl)benzamide
E640-0119 Screening compound: 4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E640-0119
4-({1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-2-yl}methyl)-N-(3-methylbutyl)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

E640-0119

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

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

IUPAC name

4-({14-dioxo-octahydro-1H-pyrido[12-a]pyrazin-2-yl}methyl)-N-(3-methylbutyl)benzamide

SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-15(2)10-11-22-20(26)17-8-6-16(7-9-17)13-23-14-19(25)24-12-4-3-5-18(24)21(23)27/h6-9,15,18H,3-5,10-14H2,1-2H3,(H,22,26)/t18-/m0/s1

InChI Key

YXRRQLXWSYYMKG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14906185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

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

1.600

Distribution Coefficient, logD

1.600

Water Solubility, LogSw

-2.35

Polar Surface Area

57.829

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

E640-0119 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E640-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E640-0119?
Check Price and Availability of E640-0119, 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 E640-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E640-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E640-0119
  • 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 E640-0119 available by request