C226-3527 Screening compound: N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide

C226-3527 Screening compound: N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide
C226-3527 Screening compound: N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3527
N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-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

C226-3527

Molecular Formula

C20H21ClN4O2 (C20 H21 ClN4 O2)

Compound Name

N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxamide

IUPAC name

N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carboxamide

SMILES

Cc1cc(NC(c2noc3c2CCCCC3)=O)nn1Cc(cc1)ccc1Cl

InChI

InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)

InChI Key

UDZVQSGWNMDOTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.50

Polar Surface Area

60.557

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C226-3527 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C226-3527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3527?
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What is the minimum amount of C226-3527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3527
  • 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 C226-3527 available by request