5353-0904 Screening compound: 5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one

5353-0904 Screening compound: 5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one
5353-0904 Screening compound: 5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5353-0904
5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-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

5353-0904

Molecular Formula

C21H22BrNO3 (C21 H22 BrNO3)

Compound Name

5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-3-[2-(24-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-23-dihydro-1H-indol-2-one

SMILES

CCCN(C(C1(CC(c2c(C)cc(C)cc2)=O)O)=O)c(cc2)c1cc2Br

InChI

InChI=1S/C21H22BrNO3/c1-4-9-23-18-8-6-15(22)11-17(18)21(26,20(23)25)12-19(24)16-7-5-13(2)10-14(16)3/h5-8,10-11,26H,4,9,12H2,1-3H3/t21-/m0/s1

InChI Key

HVFUSPLCJZSJTG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05028717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.31

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

4.809

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-4.44

Polar Surface Area

44.293

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5353-0904 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5353-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5353-0904?
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What is the minimum amount of 5353-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5353-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5353-0904
  • 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 5353-0904 available by request