5223-8469 Screening compound: ethyl 4-[3-(furan-2-yl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

5223-8469 Screening compound: ethyl 4-[3-(furan-2-yl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
5223-8469 Screening compound: ethyl 4-[3-(furan-2-yl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5223-8469
ethyl 4-[3-(furan-2-yl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]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

5223-8469

Molecular Formula

C24H20N2O6 (C24 H20 N2 O6)

Compound Name

ethyl 4-[3-(furan-2-yl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

IUPAC name

ethyl 4-[3-(furan-2-yl)-46-dioxo-2-phenyl-hexahydro-2H-pyrrolo[34-d][12]oxazol-5-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(C1c2ccco2)C2ON1c1ccccc1)=O)C2=O)=O

InChI

InChI=1S/C24H20N2O6/c1-2-30-24(29)15-10-12-16(13-11-15)25-22(27)19-20(18-9-6-14-31-18)26(32-21(19)23(25)28)17-7-4-3-5-8-17/h3-14,19-21H,2H2,1H3

InChI Key

RMZWPBIXXJEQBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02970916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.16

Polar Surface Area

72.966

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.80

5223-8469 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5223-8469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5223-8469?
Check Price and Availability of 5223-8469, 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 5223-8469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5223-8469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5223-8469
  • 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 5223-8469 available by request