8013-3226 Screening compound: 3-hydroxy-3-[2-oxo-2-(2-pyridyl)ethyl]-1-(2-propynyl)-1,3-dihydro-2H-indol-2-one

8013-3226 Screening compound: 3-hydroxy-3-[2-oxo-2-(2-pyridyl)ethyl]-1-(2-propynyl)-1,3-dihydro-2H-indol-2-one
8013-3226 Screening compound: 3-hydroxy-3-[2-oxo-2-(2-pyridyl)ethyl]-1-(2-propynyl)-1,3-dihydro-2H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3226
3-hydroxy-3-[2-oxo-2-(2-pyridyl)ethyl]-1-(2-propynyl)-1,3-dihydro-2H-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

8013-3226

Molecular Formula

C18H14N2O3 (C18 H14 N2 O3)

Compound Name

3-hydroxy-3-[2-oxo-2-(2-pyridyl)ethyl]-1-(2-propynyl)-1,3-dihydro-2H-indol-2-one

IUPAC name

3-hydroxy-3-[2-oxo-2-(pyridin-2-yl)ethyl]-1-(prop-2-yn-1-yl)-23-dihydro-1H-indol-2-one

SMILES

C#CCN(C(C1(CC(c2ncccc2)=O)O)=O)c2c1cccc2

InChI

InChI=1S/C18H14N2O3/c1-2-11-20-15-9-4-3-7-13(15)18(23,17(20)22)12-16(21)14-8-5-6-10-19-14/h1,3-10,23H,11-12H2/t18-/m0/s1

InChI Key

IIKRWGBYCAQESI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02915499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.529

Distribution Coefficient, logD

1.529

Water Solubility, LogSw

-2.20

Polar Surface Area

53.341

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

8013-3226 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 8013-3226 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3226
  • 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 8013-3226 available by request