8018-8117 Screening compound: (2E)-6-hydroxy-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-2,3-dihydro-1H-indol-3-one

8018-8117 Screening compound: (2E)-6-hydroxy-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-2,3-dihydro-1H-indol-3-one
8018-8117 Screening compound: (2E)-6-hydroxy-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-2,3-dihydro-1H-indol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8117
(2E)-6-hydroxy-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-2,3-dihydro-1H-indol-3-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

8018-8117

Molecular Formula

C17H13NO4 (C17 H13 NO4)

Compound Name

(2E)-6-hydroxy-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-2,3-dihydro-1H-indol-3-one

IUPAC name

(2E)-6-hydroxy-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-23-dihydro-1H-indol-3-one

SMILES

COc1cccc(C(/C=C2/Nc(cc(cc3)O)c3C2=O)=O)c1

InChI

InChI=1S/C17H13NO4/c1-22-12-4-2-3-10(7-12)16(20)9-15-17(21)13-6-5-11(19)8-14(13)18-15/h2-9,18-19H,1H3

InChI Key

LGUGVUVTMUQGND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.51

Polar Surface Area

63.067

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8018-8117 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-8117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8117?
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What is the minimum amount of 8018-8117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8117
  • 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 8018-8117 available by request