7467-0085 Screening compound: 5-(4-bromophenyl)-3-(furan-2-yl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

7467-0085 Screening compound: 5-(4-bromophenyl)-3-(furan-2-yl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
7467-0085 Screening compound: 5-(4-bromophenyl)-3-(furan-2-yl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7467-0085
5-(4-bromophenyl)-3-(furan-2-yl)-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

7467-0085

Molecular Formula

C21H15BrN2O4 (C21 H15 BrN2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C1c2ccco2)C(C2=O)ON1c1ccccc1)N2c(cc1)ccc1Br

InChI

InChI=1S/C21H15BrN2O4/c22-13-8-10-14(11-9-13)23-20(25)17-18(16-7-4-12-27-16)24(28-19(17)21(23)26)15-5-2-1-3-6-15/h1-12,17-19H

InChI Key

MZONRPRPYPAYIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.27

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

3.202

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.40

Polar Surface Area

52.212

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

14.30

7467-0085 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7467-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7467-0085?
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What is the minimum amount of 7467-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7467-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7467-0085
  • 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 7467-0085 available by request