5055-4036 Screening compound: ethyl 4-[2-(2-methylphenyl)-4,6-dioxo-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

5055-4036 Screening compound: ethyl 4-[2-(2-methylphenyl)-4,6-dioxo-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
5055-4036 Screening compound: ethyl 4-[2-(2-methylphenyl)-4,6-dioxo-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-4036
ethyl 4-[2-(2-methylphenyl)-4,6-dioxo-3-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

5055-4036

Molecular Formula

C27H24N2O5 (C27 H24 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(C1C(c2ccccc2)N(c2c(C)cccc2)OC11)=O)C1=O)=O

InChI

InChI=1S/C27H24N2O5/c1-3-33-27(32)19-13-15-20(16-14-19)28-25(30)22-23(18-10-5-4-6-11-18)29(34-24(22)26(28)31)21-12-8-7-9-17(21)2/h4-16,22-24H,3H2,1-2H3

InChI Key

ZJEGTPIKQQCQIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02971261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.32

Polar Surface Area

64.086

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.20

5055-4036 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5055-4036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-4036?
Check Price and Availability of 5055-4036, 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 5055-4036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-4036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-4036
  • 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 5055-4036 available by request