7467-0113 Screening compound: 5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3a-methyl-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

7467-0113 Screening compound: 5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3a-methyl-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
7467-0113 Screening compound: 5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3a-methyl-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7467-0113
5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3a-methyl-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

7467-0113

Molecular Formula

C24H19BrN2O4 (C24 H19 BrN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC1(C(c(cccc2)c2O)N(c2ccccc2)OC1C(N1c(cc2)ccc2Br)=O)C1=O

InChI

InChI=1S/C24H19BrN2O4/c1-24-20(18-9-5-6-10-19(18)28)27(17-7-3-2-4-8-17)31-21(24)22(29)26(23(24)30)16-13-11-15(25)12-14-16/h2-14,20-21,28H,1H3

InChI Key

FWLYOJOWJGWTGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-3.90

Polar Surface Area

60.182

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

16.70

7467-0113 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 7467-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7467-0113?
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What is the minimum amount of 7467-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7467-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7467-0113
  • 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 7467-0113 available by request