5055-3632 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(2-methylphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

5055-3632 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(2-methylphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
5055-3632 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(2-methylphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-3632
3-[4-(dimethylamino)phenyl]-5-(2-methylphenyl)-2-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

5055-3632

Molecular Formula

C26H25N3O3 (C26 H25 N3 O3)

Compound Name

3-[4-(dimethylamino)phenyl]-5-(2-methylphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

IUPAC name

3-[4-(dimethylamino)phenyl]-5-(2-methylphenyl)-2-phenyl-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

Cc(cccc1)c1N(C(C1C(c(cc2)ccc2N(C)C)N(c2ccccc2)OC11)=O)C1=O

InChI

InChI=1S/C26H25N3O3/c1-17-9-7-8-12-21(17)28-25(30)22-23(18-13-15-19(16-14-18)27(2)3)29(32-24(22)26(28)31)20-10-5-4-6-11-20/h4-16,22-24H,1-3H3

InChI Key

MTHKDCZYNZGXGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02970857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.17

Polar Surface Area

46.137

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.10

5055-3632 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 5055-3632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-3632?
Check Price and Availability of 5055-3632, 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 5055-3632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-3632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-3632
  • 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 5055-3632 available by request