6228-1230 Screening compound: 4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide

6228-1230 Screening compound: 4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
6228-1230 Screening compound: 4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1230
4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide

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

6228-1230

Molecular Formula

C19H17ClFN3O (C19 H17 ClFN3 O)

Compound Name

4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide

IUPAC name

4-[(4-chloro-35-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide

SMILES

Cc(n(Cc(cc1)ccc1C(Nc(cccc1)c1F)=O)nc1C)c1Cl

InChI

InChI=1S/C19H17ClFN3O/c1-12-18(20)13(2)24(23-12)11-14-7-9-15(10-8-14)19(25)22-17-6-4-3-5-16(17)21/h3-10H,11H2,1-2H3,(H,22,25)

InChI Key

YCQBTXLVGSRYCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02055622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-4.26

Polar Surface Area

36.914

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6228-1230 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6228-1230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1230?
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What is the minimum amount of 6228-1230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1230
  • 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 6228-1230 available by request