8016-6565 Screening compound: 2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

8016-6565 Screening compound: 2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
8016-6565 Screening compound: 2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6565
2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

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

8016-6565

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

IUPAC name

2-[(22-dimethyl-23-dihydro-1-benzofuran-7-yl)oxy]-N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)acetamide

SMILES

CC(C)(Cc1ccc2)Oc1c2OCC(NC(C1=O)=C(C)N(C)N1c1ccccc1)=O

InChI

InChI=1S/C23H25N3O4/c1-15-20(22(28)26(25(15)4)17-10-6-5-7-11-17)24-19(27)14-29-18-12-8-9-16-13-23(2,3)30-21(16)18/h5-12H,13-14H2,1-4H3,(H,24,27)

InChI Key

JISYWDDWTODOPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-2.74

Polar Surface Area

57.466

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

8016-6565 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8016-6565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6565?
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What is the minimum amount of 8016-6565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6565
  • 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 8016-6565 available by request