5449-0006 Screening compound: 3-hydroxy-3-{2-[2-methyl-5-(propan-2-yl)phenyl]-2-oxoethyl}-2,3-dihydro-1H-indol-2-one

5449-0006 Screening compound: 3-hydroxy-3-{2-[2-methyl-5-(propan-2-yl)phenyl]-2-oxoethyl}-2,3-dihydro-1H-indol-2-one
5449-0006 Screening compound: 3-hydroxy-3-{2-[2-methyl-5-(propan-2-yl)phenyl]-2-oxoethyl}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5449-0006
3-hydroxy-3-{2-[2-methyl-5-(propan-2-yl)phenyl]-2-oxoethyl}-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

5449-0006

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1cc(C(CC(c(cccc2)c2N2)(C2=O)O)=O)c(C)cc1

InChI

InChI=1S/C20H21NO3/c1-12(2)14-9-8-13(3)15(10-14)18(22)11-20(24)16-6-4-5-7-17(16)21-19(20)23/h4-10,12,24H,11H2,1-3H3,(H,21,23)/t20-/m0/s1

InChI Key

FNGCVHKSPQXXBK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05028744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-4.05

Polar Surface Area

53.818

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5449-0006 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5449-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5449-0006?
Check Price and Availability of 5449-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5449-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5449-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5449-0006
  • 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 5449-0006 available by request