7229-0872 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-indol-2-one

7229-0872 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-indol-2-one
7229-0872 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7229-0872
1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(3-methylpiperidin-1-yl)-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

7229-0872

Molecular Formula

C21H23ClN2O2 (C21 H23 ClN2 O2)

Compound Name

1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(3-methylpiperidin-1-yl)-23-dihydro-1H-indol-2-one

SMILES

CC(CCC1)CN1C(c(cccc1)c1N1Cc(cccc2)c2Cl)(C1=O)O

InChI

InChI=1S/C21H23ClN2O2/c1-15-7-6-12-23(13-15)21(26)17-9-3-5-11-19(17)24(20(21)25)14-16-8-2-4-10-18(16)22/h2-5,8-11,15,26H,6-7,12-14H2,1H3

InChI Key

OUNDQKWISRTBFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.12

Polar Surface Area

34.636

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

7229-0872 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 7229-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7229-0872?
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What is the minimum amount of 7229-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7229-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7229-0872
  • 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 7229-0872 available by request