4725-0313 Screening compound: 3-hydroxy-1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-2-one

4725-0313 Screening compound: 3-hydroxy-1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-2-one
4725-0313 Screening compound: 3-hydroxy-1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4725-0313
3-hydroxy-1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-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

4725-0313

Molecular Formula

C21H21NO3 (C21 H21 NO3)

Compound Name

3-hydroxy-1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-1-methyl-3-[2-oxo-2-(5678-tetrahydronaphthalen-2-yl)ethyl]-23-dihydro-1H-indol-2-one

SMILES

CN(C(C1(CC(c2cc(CCCC3)c3cc2)=O)O)=O)c2c1cccc2

InChI

InChI=1S/C21H21NO3/c1-22-18-9-5-4-8-17(18)21(25,20(22)24)13-19(23)16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-12,25H,2-3,6-7,13H2,1H3/t21-/m0/s1

InChI Key

PTELVEWFKNBSLQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02641225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.64

Polar Surface Area

44.001

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4725-0313 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4725-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4725-0313?
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What is the minimum amount of 4725-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4725-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4725-0313
  • 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 4725-0313 available by request