4883-0099 Screening compound: 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one

4883-0099 Screening compound: 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one
4883-0099 Screening compound: 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4883-0099
3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(prop-2-yn-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

4883-0099

Molecular Formula

C20H17NO4 (C20 H17 NO4)

Compound Name

3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(prop-2-yn-1-yl)-23-dihydro-1H-indol-2-one

SMILES

COc(cccc1)c1C(CC(c(cccc1)c1N1CC#C)(C1=O)O)=O

InChI

InChI=1S/C20H17NO4/c1-3-12-21-16-10-6-5-9-15(16)20(24,19(21)23)13-17(22)14-8-4-7-11-18(14)25-2/h1,4-11,24H,12-13H2,2H3/t20-/m0/s1

InChI Key

OZIVDVLMBBNGJV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03446356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.430

Distribution Coefficient, logD

2.430

Water Solubility, LogSw

-2.67

Polar Surface Area

51.923

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4883-0099 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4883-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4883-0099?
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What is the minimum amount of 4883-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4883-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4883-0099
  • 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 4883-0099 available by request