6056-0999 Screening compound: (3E)-3-[(1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one

6056-0999 Screening compound: (3E)-3-[(1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one
6056-0999 Screening compound: (3E)-3-[(1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-0999
(3E)-3-[(1H-indol-3-yl)methylidene]-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

6056-0999

Molecular Formula

C17H12N2O (C17 H12 N2 O)

Compound Name

(3E)-3-[(1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3E)-3-[(1H-indol-3-yl)methylidene]-23-dihydro-1H-indol-2-one

SMILES

O=C1Nc(cccc2)c2/C1=C\c1c[nH]c2c1cccc2

InChI

InChI=1S/C17H12N2O/c20-17-14(13-6-2-4-8-16(13)19-17)9-11-10-18-15-7-3-1-5-12(11)15/h1-10,18H,(H,19,20)

InChI Key

XCGXAWJRNVHWAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00118193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.87

Polar Surface Area

35.081

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6056-0999 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6056-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-0999?
Check Price and Availability of 6056-0999, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6056-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-0999
  • 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 6056-0999 available by request