8016-9209 Screening compound: N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-3,4-dimethoxybenzamide

8016-9209 Screening compound: N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-3,4-dimethoxybenzamide
8016-9209 Screening compound: N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9209
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-3,4-dimethoxybenzamide

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

8016-9209

Molecular Formula

C19H18FN3O3 (C19 H18 FN3 O3)

Compound Name

N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-3,4-dimethoxybenzamide

IUPAC name

N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-34-dimethoxybenzamide

SMILES

Cc(cc1NC(c(cc2)cc(OC)c2OC)=O)nn1-c1cccc(F)c1

InChI

InChI=1S/C19H18FN3O3/c1-12-9-18(23(22-12)15-6-4-5-14(20)11-15)21-19(24)13-7-8-16(25-2)17(10-13)26-3/h4-11H,1-3H3,(H,21,24)

InChI Key

DEWUKLMBHWUTJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.36

Polar Surface Area

52.832

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8016-9209 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8016-9209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9209?
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What is the minimum amount of 8016-9209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9209
  • 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 8016-9209 available by request