7467-0110 Screening compound: 5-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-3a-methyl-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

7467-0110 Screening compound: 5-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-3a-methyl-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
7467-0110 Screening compound: 5-(4-ethoxyphenyl)-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 7467-0110
5-(4-ethoxyphenyl)-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

7467-0110

Molecular Formula

C26H24N2O5 (C26 H24 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(C(C1(C)C2c(cccc3)c3O)ON2c2ccccc2)=O)C1=O

InChI

InChI=1S/C26H24N2O5/c1-3-32-19-15-13-17(14-16-19)27-24(30)23-26(2,25(27)31)22(20-11-7-8-12-21(20)29)28(33-23)18-9-5-4-6-10-18/h4-16,22-23,29H,3H2,1-2H3

InChI Key

NKXRAMBQNGIYDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-3.47

Polar Surface Area

67.305

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.10

7467-0110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7467-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7467-0110?
Check Price and Availability of 7467-0110, 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 7467-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7467-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7467-0110
  • 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 7467-0110 available by request