8013-2876 Screening compound: N-benzyl-5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide

8013-2876 Screening compound: N-benzyl-5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide
8013-2876 Screening compound: N-benzyl-5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2876
N-benzyl-5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-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

8013-2876

Molecular Formula

C21H18ClFN2O2 (C21 H18 ClFN2 O2)

Compound Name

N-benzyl-5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide

IUPAC name

N-benzyl-5-chloro-2-(4-fluorophenoxy)-46-dimethylpyridine-3-carboxamide

SMILES

Cc1c(C(NCc2ccccc2)=O)c(Oc(cc2)ccc2F)nc(C)c1Cl

InChI

InChI=1S/C21H18ClFN2O2/c1-13-18(20(26)24-12-15-6-4-3-5-7-15)21(25-14(2)19(13)22)27-17-10-8-16(23)9-11-17/h3-11H,12H2,1-2H3,(H,24,26)

InChI Key

LESYSLVVWIDZKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.092

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-5.55

Polar Surface Area

41.350

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8013-2876 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-2876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2876?
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What is the minimum amount of 8013-2876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2876
  • 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 8013-2876 available by request