4593-5139 Screening compound: 5-methyl-2,3-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

4593-5139 Screening compound: 5-methyl-2,3-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
4593-5139 Screening compound: 5-methyl-2,3-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-5139
5-methyl-2,3-diphenyl-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

4593-5139

Molecular Formula

C18H16N2O3 (C18 H16 N2 O3)

Compound Name

5-methyl-2,3-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

IUPAC name

5-methyl-23-diphenyl-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

CN(C(C1C(c2ccccc2)N(c2ccccc2)OC11)=O)C1=O

InChI

InChI=1S/C18H16N2O3/c1-19-17(21)14-15(12-8-4-2-5-9-12)20(23-16(14)18(19)22)13-10-6-3-7-11-13/h2-11,14-16H,1H3

InChI Key

JJOJNMDLZMOZAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02970653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-2.04

Polar Surface Area

44.282

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.20

4593-5139 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

Soluble Diversity Library (15920 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4593-5139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-5139?
Check Price and Availability of 4593-5139, 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 4593-5139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-5139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-5139
  • 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 4593-5139 available by request