7407-0866 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one

7407-0866 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one
7407-0866 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7407-0866
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-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

7407-0866

Molecular Formula

C25H20BrNO5 (C25 H20 BrNO5)

Compound Name

3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-(2-phenylethyl)-23-dihydro-1H-indol-2-one

SMILES

OC(CC(c(cc1)cc2c1OCO2)=O)(c(cc(cc1)Br)c1N1CCc2ccccc2)C1=O

InChI

InChI=1S/C25H20BrNO5/c26-18-7-8-20-19(13-18)25(30,24(29)27(20)11-10-16-4-2-1-3-5-16)14-21(28)17-6-9-22-23(12-17)32-15-31-22/h1-9,12-13,30H,10-11,14-15H2/t25-/m0/s1

InChI Key

OKOJKYXLCSQYBU-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03837231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-4.57

Polar Surface Area

61.137

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 7407-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7407-0866?
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What is the minimum amount of 7407-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7407-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7407-0866
  • 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 7407-0866 available by request