3132-1608 Screening compound: 2-amino-5-oxo-4-(pyridin-4-yl)-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile

3132-1608 Screening compound: 2-amino-5-oxo-4-(pyridin-4-yl)-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile
3132-1608 Screening compound: 2-amino-5-oxo-4-(pyridin-4-yl)-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-1608
2-amino-5-oxo-4-(pyridin-4-yl)-4H,5H,6H-pyrano[3,2-c]quinoline-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

3132-1608

Molecular Formula

C18H12N4O2 (C18 H12 N4 O2)

Compound Name

2-amino-5-oxo-4-(pyridin-4-yl)-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile

IUPAC name

2-amino-5-oxo-4-(pyridin-4-yl)-4H5H6H-pyrano[32-c]quinoline-3-carbonitrile

SMILES

NC(OC(c(cccc1)c1N1)=C(C2c3ccncc3)C1=O)=C2C#N

InChI

InChI=1S/C18H12N4O2/c19-9-12-14(10-5-7-21-8-6-10)15-16(24-17(12)20)11-3-1-2-4-13(11)22-18(15)23/h1-8,14H,20H2,(H,22,23)/t14-/m1/s1

InChI Key

UZDSAQRNPBYUMT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01466472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.119

Distribution Coefficient, logD

1.119

Water Solubility, LogSw

-1.76

Polar Surface Area

81.084

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.60

3132-1608 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 3132-1608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-1608?
Check Price and Availability of 3132-1608, 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 3132-1608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-1608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-1608
  • 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 3132-1608 available by request