7706-1247 Screening compound: 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-[(pyridin-3-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile

7706-1247 Screening compound: 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-[(pyridin-3-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile
7706-1247 Screening compound: 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-[(pyridin-3-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-1247
2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-[(pyridin-3-yl)methyl]-4H,5H,6H-pyrano[3,2-c]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

7706-1247

Molecular Formula

C22H17FN4O2 (C22 H17 FN4 O2)

Compound Name

2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-[(pyridin-3-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile

IUPAC name

2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-[(pyridin-3-yl)methyl]-4H5H6H-pyrano[32-c]pyridine-3-carbonitrile

SMILES

CC(N1Cc2cnccc2)=CC(OC(N)=C(C2c(cc3)ccc3F)C#N)=C2C1=O

InChI

InChI=1S/C22H17FN4O2/c1-13-9-18-20(22(28)27(13)12-14-3-2-8-26-11-14)19(17(10-24)21(25)29-18)15-4-6-16(23)7-5-15/h2-9,11,19H,12,25H2,1H3/t19-/m1/s1

InChI Key

XKCWDSRFYQPSHB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03693121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.085

Distribution Coefficient, logD

2.085

Water Solubility, LogSw

-2.14

Polar Surface Area

70.869

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

7706-1247 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7706-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-1247?
Check Price and Availability of 7706-1247, 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 7706-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-1247
  • 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 7706-1247 available by request