8330-0019 Screening compound: 2-oxo-7-(propan-2-yl)-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile

8330-0019 Screening compound: 2-oxo-7-(propan-2-yl)-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile
8330-0019 Screening compound: 2-oxo-7-(propan-2-yl)-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8330-0019
2-oxo-7-(propan-2-yl)-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile

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

8330-0019

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

2-oxo-7-(propan-2-yl)-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile

IUPAC name

2-oxo-7-(propan-2-yl)-1H2H5H7H8H-pyrano[43-b]pyridine-3-carbonitrile

SMILES

CC(C)C(C1)OCC(C=C2C#N)=C1NC2=O

InChI

InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)/t11-/m1/s1

InChI Key

GVUFLWNXLIHNNK-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03662184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.653

Distribution Coefficient, logD

0.468

Water Solubility, LogSw

-2.23

Polar Surface Area

50.495

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8330-0019 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8330-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8330-0019?
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What is the minimum amount of 8330-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8330-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8330-0019
  • 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 8330-0019 available by request