4883-0104 Screening compound: 3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one

4883-0104 Screening compound: 3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one
4883-0104 Screening compound: 3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4883-0104
3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)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

4883-0104

Molecular Formula

C27H27NO3 (C27 H27 NO3)

Compound Name

3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(246-trimethylphenyl)ethyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1cc(C)c(C(CC(c(cccc2)c2N2Cc3c(C)cccc3)(C2=O)O)=O)c(C)c1

InChI

InChI=1S/C27H27NO3/c1-17-13-19(3)25(20(4)14-17)24(29)15-27(31)22-11-7-8-12-23(22)28(26(27)30)16-21-10-6-5-9-18(21)2/h5-14,31H,15-16H2,1-4H3/t27-/m0/s1

InChI Key

BVLYXJDNJCSZGV-MHZLTWQESA-N

MDL Number (MFCD)

MFCD08051045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.725

Distribution Coefficient, logD

5.725

Water Solubility, LogSw

-5.35

Polar Surface Area

44.043

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

4883-0104 in Drug Discovery

Included in Screening Libraries

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 4883-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4883-0104?
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What is the minimum amount of 4883-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4883-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4883-0104
  • 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 4883-0104 available by request