6225-0622 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]-2,3-dihydro-1H-indol-2-one

6225-0622 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]-2,3-dihydro-1H-indol-2-one
6225-0622 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6225-0622
1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]-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

6225-0622

Molecular Formula

C22H17ClN2O3 (C22 H17 ClN2 O3)

Compound Name

1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]-23-dihydro-1H-indol-2-one

SMILES

OC(CC(c1ccncc1)=O)(c(cccc1)c1N1Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C22H17ClN2O3/c23-18-7-3-1-5-16(18)14-25-19-8-4-2-6-17(19)22(28,21(25)27)13-20(26)15-9-11-24-12-10-15/h1-12,28H,13-14H2/t22-/m0/s1

InChI Key

UWSQTRCCLAUKDY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02915779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-3.46

Polar Surface Area

53.471

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

6225-0622 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

MCE-18 Trends in Medicinal Chemistry (51288 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 6225-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6225-0622?
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What is the minimum amount of 6225-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6225-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6225-0622
  • 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 6225-0622 available by request