7407-0423 Screening compound: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one

7407-0423 Screening compound: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one
7407-0423 Screening compound: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7407-0423
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-propyl-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

7407-0423

Molecular Formula

C21H21NO5 (C21 H21 NO5)

Compound Name

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(23-dihydro-14-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-propyl-23-dihydro-1H-indol-2-one

SMILES

CCCN(C(C1(CC(c(cc2)cc3c2OCCO3)=O)O)=O)c2c1cccc2

InChI

InChI=1S/C21H21NO5/c1-2-9-22-16-6-4-3-5-15(16)21(25,20(22)24)13-17(23)14-7-8-18-19(12-14)27-11-10-26-18/h3-8,12,25H,2,9-11,13H2,1H3/t21-/m0/s1

InChI Key

BEGJURCMFJRGGY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03836527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

1.953

Water Solubility, LogSw

-2.65

Polar Surface Area

60.116

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

7407-0423 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 7407-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7407-0423?
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What is the minimum amount of 7407-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7407-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7407-0423
  • 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 7407-0423 available by request