7467-0082 Screening compound: 3-(furan-2-yl)-5-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

7467-0082 Screening compound: 3-(furan-2-yl)-5-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
7467-0082 Screening compound: 3-(furan-2-yl)-5-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7467-0082
3-(furan-2-yl)-5-(4-methoxyphenyl)-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

7467-0082

Molecular Formula

C22H18N2O5 (C22 H18 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(C(C1c2ccco2)C2ON1c1ccccc1)=O)C2=O

InChI

InChI=1S/C22H18N2O5/c1-27-16-11-9-14(10-12-16)23-21(25)18-19(17-8-5-13-28-17)24(29-20(18)22(23)26)15-6-3-2-4-7-15/h2-13,18-20H,1H3

InChI Key

MLMNIIWAGRXMHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02209384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-2.56

Polar Surface Area

59.756

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.20

7467-0082 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 7467-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7467-0082?
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What is the minimum amount of 7467-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7467-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7467-0082
  • 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 7467-0082 available by request