E201-0075 Screening compound: N~2~-[2-(1-cyclohexenyl)ethyl]-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

E201-0075 Screening compound: N~2~-[2-(1-cyclohexenyl)ethyl]-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
E201-0075 Screening compound: N~2~-[2-(1-cyclohexenyl)ethyl]-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E201-0075
N~2~-[2-(1-cyclohexenyl)ethyl]-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

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

E201-0075

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

N~2~-[2-(1-cyclohexenyl)ethyl]-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-2-oxo-168-triazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carboxamide

SMILES

Cn(c(C(NCCC1=CCCCC1)=O)c1)c(N=C2N3C=CC=C2)c1C3=O

InChI

InChI=1S/C20H22N4O2/c1-23-16(19(25)21-11-10-14-7-3-2-4-8-14)13-15-18(23)22-17-9-5-6-12-24(17)20(15)26/h5-7,9,12-13H,2-4,8,10-11H2,1H3,(H,21,25)

InChI Key

RQUTUHZADOXIRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-2.71

Polar Surface Area

51.850

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E201-0075 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E201-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E201-0075?
Check Price and Availability of E201-0075, 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 E201-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E201-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E201-0075
  • 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 E201-0075 available by request