8017-7463 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indol-2-one

8017-7463 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indol-2-one
8017-7463 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7463
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-{[3-(trifluoromethyl)phenyl]methyl}-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

8017-7463

Molecular Formula

C25H18F3NO5 (C25 H18 F3 NO5)

Compound Name

3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-{[3-(trifluoromethyl)phenyl]methyl}-23-dihydro-1H-indol-2-one

SMILES

OC(CC(c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1Cc2cccc(C(F)(F)F)c2)C1=O

InChI

InChI=1S/C25H18F3NO5/c26-25(27,28)17-5-3-4-15(10-17)13-29-19-7-2-1-6-18(19)24(32,23(29)31)12-20(30)16-8-9-21-22(11-16)34-14-33-21/h1-11,32H,12-14H2/t24-/m0/s1

InChI Key

FIAQSDXSIRBSNF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06617885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.42

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

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.47

Polar Surface Area

61.158

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8017-7463 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-7463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7463?
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What is the minimum amount of 8017-7463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7463
  • 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 8017-7463 available by request