C226-4096 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carboxamide

C226-4096 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carboxamide
C226-4096 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4096
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-4H,5H-naphtho[2,1-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

C226-4096

Molecular Formula

C25H24N4O3 (C25 H24 N4 O3)

Compound Name

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carboxamide

IUPAC name

N-(1-benzyl-35-dimethyl-1H-pyrazol-4-yl)-7-methoxy-4H5H-naphtho[21-d][12]oxazole-3-carboxamide

SMILES

Cc(n(Cc1ccccc1)nc1C)c1NC(c1noc-2c1CCc1c2ccc(OC)c1)=O

InChI

InChI=1S/C25H24N4O3/c1-15-22(16(2)29(27-15)14-17-7-5-4-6-8-17)26-25(30)23-21-11-9-18-13-19(31-3)10-12-20(18)24(21)32-28-23/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,26,30)

InChI Key

XQEPOUXTSXDHCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.770

Distribution Coefficient, logD

3.770

Water Solubility, LogSw

-4.24

Polar Surface Area

65.840

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C226-4096 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with C226-4096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4096?
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What is the minimum amount of C226-4096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4096
  • 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 C226-4096 available by request