5071-7791 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

5071-7791 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
5071-7791 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5071-7791
4-(2H-1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

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

5071-7791

Molecular Formula

C24H18F3NO4 (C24 H18 F3 NO4)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

IUPAC name

4-(2H-13-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

SMILES

Cc(cccc1)c1OC(C(c(cc1)cc2c1OCO2)N1c2cccc(C(F)(F)F)c2)C1=O

InChI

InChI=1S/C24H18F3NO4/c1-14-5-2-3-8-18(14)32-22-21(15-9-10-19-20(11-15)31-13-30-19)28(23(22)29)17-7-4-6-16(12-17)24(25,26)27/h2-12,21-22H,13H2,1H3

InChI Key

QWWVMSACURUBBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.55

Polar Surface Area

38.992

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

5071-7791 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5071-7791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5071-7791?
Check Price and Availability of 5071-7791, 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 5071-7791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5071-7791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5071-7791
  • 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 5071-7791 available by request