E201-0216 Screening compound: ethyl 1-[(1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate

E201-0216 Screening compound: ethyl 1-[(1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate
E201-0216 Screening compound: ethyl 1-[(1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E201-0216
ethyl 1-[(1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate

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

E201-0216

Molecular Formula

C21H24N4O4 (C21 H24 N4 O4)

Compound Name

ethyl 1-[(1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate

IUPAC name

ethyl 1-{610-dimethyl-2-oxo-168-triazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(n1C)cc2c1N=C(C(C)=CC=C1)N1C2=O)=O)=O

InChI

InChI=1S/C21H24N4O4/c1-4-29-21(28)14-7-10-24(11-8-14)20(27)16-12-15-18(23(16)3)22-17-13(2)6-5-9-25(17)19(15)26/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3

InChI Key

FQYNAPNUGMPQIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05895003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

1.904

Water Solubility, LogSw

-2.35

Polar Surface Area

63.825

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E201-0216 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E201-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E201-0216?
Check Price and Availability of E201-0216, 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 E201-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E201-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E201-0216
  • 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 E201-0216 available by request