5267-0677 Screening compound: ethyl 4-[3-(4-fluorophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

5267-0677 Screening compound: ethyl 4-[3-(4-fluorophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
5267-0677 Screening compound: ethyl 4-[3-(4-fluorophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5267-0677
ethyl 4-[3-(4-fluorophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

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

5267-0677

Molecular Formula

C26H21FN2O5 (C26 H21 FN2 O5)

Compound Name

ethyl 4-[3-(4-fluorophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

IUPAC name

ethyl 4-[3-(4-fluorophenyl)-46-dioxo-2-phenyl-hexahydro-2H-pyrrolo[34-d][12]oxazol-5-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C1C(c(cc2)ccc2F)N(c2ccccc2)OC11)=O)C1=O)=O

InChI

InChI=1S/C26H21FN2O5/c1-2-33-26(32)17-10-14-19(15-11-17)28-24(30)21-22(16-8-12-18(27)13-9-16)29(34-23(21)25(28)31)20-6-4-3-5-7-20/h3-15,21-23H,2H2,1H3

InChI Key

OGAOLOLMINWSED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02966180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.11

Polar Surface Area

64.387

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

19.20

5267-0677 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 5267-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5267-0677?
Check Price and Availability of 5267-0677, 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 5267-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5267-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5267-0677
  • 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 5267-0677 available by request