4883-0030 Screening compound: 3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

4883-0030 Screening compound: 3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
4883-0030 Screening compound: 3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4883-0030
3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-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

4883-0030

Molecular Formula

C25H21NO3 (C25 H21 NO3)

Compound Name

3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(12-dihydroacenaphthylen-5-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-2-one

SMILES

C=CCN(C(C1(CC(c2ccc(CC3)c4c3cccc24)=O)O)=O)c2c1cccc2

InChI

InChI=1S/C25H21NO3/c1-2-14-26-21-9-4-3-8-20(21)25(29,24(26)28)15-22(27)18-13-12-17-11-10-16-6-5-7-19(18)23(16)17/h2-9,12-13,29H,1,10-11,14-15H2/t25-/m0/s1

InChI Key

OVYOEQGDPDYTNY-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03446332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

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

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.64

Polar Surface Area

44.308

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4883-0030 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4883-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4883-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4883-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4883-0030
  • 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 4883-0030 available by request