F812-0868 Screening compound: N~6~-[(5-methyl-2-furyl)methyl]-3-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

F812-0868 Screening compound: N~6~-[(5-methyl-2-furyl)methyl]-3-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
F812-0868 Screening compound: N~6~-[(5-methyl-2-furyl)methyl]-3-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F812-0868
N~6~-[(5-methyl-2-furyl)methyl]-3-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

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

F812-0868

Molecular Formula

C19H16N4O2 (C19 H16 N4 O2)

Compound Name

N~6~-[(5-methyl-2-furyl)methyl]-3-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

n/a

SMILES

Cc1ccc(CNC(c2cn3c(-c4ccccc4)nnc3cc2)=O)o1

InChI

InChI=1S/C19H16N4O2/c1-13-7-9-16(25-13)11-20-19(24)15-8-10-17-21-22-18(23(17)12-15)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)

InChI Key

UJBVYQSDPCSCHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.20

Polar Surface Area

53.146

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

F812-0868 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F812-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F812-0868?
Check Price and Availability of F812-0868, 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 F812-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F812-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F812-0868
  • 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 F812-0868 available by request