E201-0300 Screening compound: N~2~-ethyl-1,9-dimethyl-N~2~-(3-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

E201-0300 Screening compound: N~2~-ethyl-1,9-dimethyl-N~2~-(3-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
E201-0300 Screening compound: N~2~-ethyl-1,9-dimethyl-N~2~-(3-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E201-0300
N~2~-ethyl-1,9-dimethyl-N~2~-(3-methylphenyl)-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

E201-0300

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

N~2~-ethyl-1,9-dimethyl-N~2~-(3-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

IUPAC name

N-ethyl-610-dimethyl-N-(3-methylphenyl)-2-oxo-168-triazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carboxamide

SMILES

CCN(C(c(n1C)cc2c1N=C(C(C)=CC=C1)N1C2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C22H22N4O2/c1-5-25(16-10-6-8-14(2)12-16)22(28)18-13-17-20(24(18)4)23-19-15(3)9-7-11-26(19)21(17)27/h6-13H,5H2,1-4H3

InChI Key

XFVZRZQRBVWQEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04153950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.68

Polar Surface Area

41.771

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E201-0300 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 E201-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E201-0300?
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What is the minimum amount of E201-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E201-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E201-0300
  • 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 E201-0300 available by request