E201-0147 Screening compound: butyl 4-{[(1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate

E201-0147 Screening compound: butyl 4-{[(1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate
E201-0147 Screening compound: butyl 4-{[(1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E201-0147
butyl 4-{[(1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate

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

E201-0147

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

butyl 4-{[(1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate

IUPAC name

butyl 4-{6-methyl-2-oxo-168-triazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-amido}benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(c(n1C)cc2c1N=C(C=CC=C1)N1C2=O)=O)=O

InChI

InChI=1S/C23H22N4O4/c1-3-4-13-31-23(30)15-8-10-16(11-9-15)24-21(28)18-14-17-20(26(18)2)25-19-7-5-6-12-27(19)22(17)29/h5-12,14H,3-4,13H2,1-2H3,(H,24,28)

InChI Key

OTTHQJOPZBSCBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.15

Polar Surface Area

71.542

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E201-0147 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E201-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E201-0147?
Check Price and Availability of E201-0147, 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 E201-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E201-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E201-0147
  • 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 E201-0147 available by request