7407-0401 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one

7407-0401 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one
7407-0401 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7407-0401
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-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

7407-0401

Molecular Formula

C25H21NO5 (C25 H21 NO5)

Compound Name

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

IUPAC name

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

SMILES

OC(CC(c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1CCc2ccccc2)C1=O

InChI

InChI=1S/C25H21NO5/c27-21(18-10-11-22-23(14-18)31-16-30-22)15-25(29)19-8-4-5-9-20(19)26(24(25)28)13-12-17-6-2-1-3-7-17/h1-11,14,29H,12-13,15-16H2/t25-/m0/s1

InChI Key

WECLRVHTLBFMSO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03103631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

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

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.17

Polar Surface Area

61.137

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

7407-0401 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7407-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7407-0401?
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What is the minimum amount of 7407-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7407-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7407-0401
  • 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 7407-0401 available by request