E201-0062 Screening compound: N~2~-(2-methoxy-1-methylethyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

E201-0062 Screening compound: N~2~-(2-methoxy-1-methylethyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
E201-0062 Screening compound: N~2~-(2-methoxy-1-methylethyl)-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 E201-0062
N~2~-(2-methoxy-1-methylethyl)-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

E201-0062

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(COC)NC(c(n1C)cc2c1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C16H18N4O3/c1-10(9-23-3)17-15(21)12-8-11-14(19(12)2)18-13-6-4-5-7-20(13)16(11)22/h4-8,10H,9H2,1-3H3,(H,17,21)/t10-/m0/s1

InChI Key

NPQMWTRBPXAKRZ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05894885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.778

Distribution Coefficient, logD

0.778

Water Solubility, LogSw

-1.87

Polar Surface Area

59.953

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

E201-0062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E201-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E201-0062?
Check Price and Availability of E201-0062, 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 E201-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E201-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E201-0062
  • 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 E201-0062 available by request