3228-0107 Screening compound: ethyl 3-amino-9-oxo-9H-benzo[b]pyrrolizine-2-carboxylate

3228-0107 Screening compound: ethyl 3-amino-9-oxo-9H-benzo[b]pyrrolizine-2-carboxylate
3228-0107 Screening compound: ethyl 3-amino-9-oxo-9H-benzo[b]pyrrolizine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0107
ethyl 3-amino-9-oxo-9H-benzo[b]pyrrolizine-2-carboxylate

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

3228-0107

Molecular Formula

C14H12N2O3 (C14 H12 N2 O3)

Compound Name

ethyl 3-amino-9-oxo-9H-benzo[b]pyrrolizine-2-carboxylate

IUPAC name

ethyl 3-amino-9-oxo-9H-benzo[b]pyrrolizine-2-carboxylate

SMILES

CCOC(c(cc12)c(N)n1-c(cccc1)c1C2=O)=O

InChI

InChI=1S/C14H12N2O3/c1-2-19-14(18)9-7-11-12(17)8-5-3-4-6-10(8)16(11)13(9)15/h3-7H,2,15H2,1H3

InChI Key

NLOFNKPOURZRLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-2.82

Polar Surface Area

54.875

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3228-0107 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3228-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0107?
Check Price and Availability of 3228-0107, 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 3228-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0107
  • 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 3228-0107 available by request