0445-0014 Screening compound: 1-oxo-2-(pyridin-2-yl)-1H-inden-3-olate

0445-0014 Screening compound: 1-oxo-2-(pyridin-2-yl)-1H-inden-3-olate
0445-0014 Screening compound: 1-oxo-2-(pyridin-2-yl)-1H-inden-3-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0445-0014
1-oxo-2-(pyridin-2-yl)-1H-inden-3-olate

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

0445-0014

Molecular Formula

C14H8NO2 (C14 H8 NO2)

Compound Name

1-oxo-2-(pyridin-2-yl)-1H-inden-3-olate

IUPAC name

1-oxo-2-(pyridin-2-yl)-1H-inden-3-olate

SMILES

[O-]C(c(cccc1)c1C1=O)=C1c1ncccc1

InChI

InChI=1S/C14H9NO2/c16-13-9-5-1-2-6-10(9)14(17)12(13)11-7-3-4-8-15-11/h1-8,16H/p-1

InChI Key

BZTFXIANCZFDOW-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD00477021

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

222.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.853

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-2.50

Polar Surface Area

37.519

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0445-0014 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 0445-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0445-0014?
Check Price and Availability of 0445-0014, 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 0445-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0445-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0445-0014
  • 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 0445-0014 available by request