4676-0332 Screening compound: 2-(4-chlorophenyl)-3-(furan-2-yl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

4676-0332 Screening compound: 2-(4-chlorophenyl)-3-(furan-2-yl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
4676-0332 Screening compound: 2-(4-chlorophenyl)-3-(furan-2-yl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4676-0332
2-(4-chlorophenyl)-3-(furan-2-yl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

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

4676-0332

Molecular Formula

C21H15ClN2O4 (C21 H15 ClN2 O4)

Compound Name

2-(4-chlorophenyl)-3-(furan-2-yl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

IUPAC name

2-(4-chlorophenyl)-3-(furan-2-yl)-5-phenyl-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

O=C(C(C1c2ccco2)C(C2=O)ON1c(cc1)ccc1Cl)N2c1ccccc1

InChI

InChI=1S/C21H15ClN2O4/c22-13-8-10-15(11-9-13)24-18(16-7-4-12-27-16)17-19(28-24)21(26)23(20(17)25)14-5-2-1-3-6-14/h1-12,17-19H

InChI Key

CWZHOIMVEOWUSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01471339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.38

Polar Surface Area

52.212

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

14.30

4676-0332 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4676-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4676-0332?
Check Price and Availability of 4676-0332, 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 4676-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4676-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4676-0332
  • 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 4676-0332 available by request