8012-9904 Screening compound: N-(2-{[1,1'-biphenyl]-4-yloxy}-5-(trifluoromethyl)phenyl)pyridine-3-carboxamide

8012-9904 Screening compound: N-(2-{[1,1'-biphenyl]-4-yloxy}-5-(trifluoromethyl)phenyl)pyridine-3-carboxamide
8012-9904 Screening compound: N-(2-{[1,1'-biphenyl]-4-yloxy}-5-(trifluoromethyl)phenyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9904
N-(2-{[1,1'-biphenyl]-4-yloxy}-5-(trifluoromethyl)phenyl)pyridine-3-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

8012-9904

Molecular Formula

C25H17F3N2O2 (C25 H17 F3 N2 O2)

Compound Name

N-(2-{[1,1'-biphenyl]-4-yloxy}-5-(trifluoromethyl)phenyl)pyridine-3-carboxamide

IUPAC name

N-(2-{[11'-biphenyl]-4-yloxy}-5-(trifluoromethyl)phenyl)pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)Nc(cc(C(F)(F)F)cc1)c1Oc(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C25H17F3N2O2/c26-25(27,28)20-10-13-23(22(15-20)30-24(31)19-7-4-14-29-16-19)32-21-11-8-18(9-12-21)17-5-2-1-3-6-17/h1-16H,(H,30,31)

InChI Key

SWJRWPOBOGJNAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408166

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

434.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.984

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-6.07

Polar Surface Area

38.712

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8012-9904 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-9904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9904?
Check Price and Availability of 8012-9904, 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 8012-9904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9904
  • 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 8012-9904 available by request