8005-2935 Screening compound: 8-(furan-2-yl)-3,3-dimethyl-6-oxo-1H,3H,4H,6H,7H-pyrano[3,4-c]pyridine-5-carbonitrile

8005-2935 Screening compound: 8-(furan-2-yl)-3,3-dimethyl-6-oxo-1H,3H,4H,6H,7H-pyrano[3,4-c]pyridine-5-carbonitrile
8005-2935 Screening compound: 8-(furan-2-yl)-3,3-dimethyl-6-oxo-1H,3H,4H,6H,7H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2935
8-(furan-2-yl)-3,3-dimethyl-6-oxo-1H,3H,4H,6H,7H-pyrano[3,4-c]pyridine-5-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

8005-2935

Molecular Formula

C15H14N2O3 (C15 H14 N2 O3)

Compound Name

8-(furan-2-yl)-3,3-dimethyl-6-oxo-1H,3H,4H,6H,7H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

8-(furan-2-yl)-33-dimethyl-6-oxo-1H3H4H6H7H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)(CC1=C2C#N)OCC1=C(c1ccco1)NC2=O

InChI

InChI=1S/C15H14N2O3/c1-15(2)6-9-10(7-16)14(18)17-13(11(9)8-20-15)12-4-3-5-19-12/h3-5H,6,8H2,1-2H3,(H,17,18)

InChI Key

HDJJODXNYLJCBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00698599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.861

Distribution Coefficient, logD

0.410

Water Solubility, LogSw

-2.20

Polar Surface Area

58.249

Acid Dissociation Constant (pKa)

5.96

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8005-2935 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8005-2935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2935?
Check Price and Availability of 8005-2935, 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 8005-2935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2935
  • 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 8005-2935 available by request