8013-2869 Screening compound: 5-chloro-2-(4-fluorophenoxy)-N-(3-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide

8013-2869 Screening compound: 5-chloro-2-(4-fluorophenoxy)-N-(3-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
8013-2869 Screening compound: 5-chloro-2-(4-fluorophenoxy)-N-(3-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2869
5-chloro-2-(4-fluorophenoxy)-N-(3-methoxyphenyl)-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

8013-2869

Molecular Formula

C21H18ClFN2O3 (C21 H18 ClFN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc2cc(OC)ccc2)=O)c(Oc(cc2)ccc2F)nc(C)c1Cl

InChI

InChI=1S/C21H18ClFN2O3/c1-12-18(20(26)25-15-5-4-6-17(11-15)27-3)21(24-13(2)19(12)22)28-16-9-7-14(23)8-10-16/h4-11H,1-3H3,(H,25,26)

InChI Key

SMDMLBYIMHJRHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.620

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-6.21

Polar Surface Area

47.571

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8013-2869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2869?
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What is the minimum amount of 8013-2869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2869
  • 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 8013-2869 available by request