C226-3420 Screening compound: N-{3,5-DIMETHYL-1-[(2-METHYLPHENYL)METHYL]-1H-PYRAZOL-4-YL}-4,5,6,7-TETRAHYDRO-1,2-BENZOXAZOLE-3-CARBOXAMIDE

C226-3420 Screening compound: N-{3,5-DIMETHYL-1-[(2-METHYLPHENYL)METHYL]-1H-PYRAZOL-4-YL}-4,5,6,7-TETRAHYDRO-1,2-BENZOXAZOLE-3-CARBOXAMIDE
C226-3420 Screening compound: N-{3,5-DIMETHYL-1-[(2-METHYLPHENYL)METHYL]-1H-PYRAZOL-4-YL}-4,5,6,7-TETRAHYDRO-1,2-BENZOXAZOLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3420
N-{3,5-DIMETHYL-1-[(2-METHYLPHENYL)METHYL]-1H-PYRAZOL-4-YL}-4,5,6,7-TETRAHYDRO-1,2-BENZOXAZOLE-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

C226-3420

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

N-{3,5-DIMETHYL-1-[(2-METHYLPHENYL)METHYL]-1H-PYRAZOL-4-YL}-4,5,6,7-TETRAHYDRO-1,2-BENZOXAZOLE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc(n(Cc1c(C)cccc1)nc1C)c1NC(c1noc2c1CCCC2)=O

InChI

InChI=1S/C21H24N4O2/c1-13-8-4-5-9-16(13)12-25-15(3)19(14(2)23-25)22-21(26)20-17-10-6-7-11-18(17)27-24-20/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,22,26)

InChI Key

DHNBGUDKMGZVMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

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

3.117

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.14

Polar Surface Area

58.616

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C226-3420 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C226-3420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3420?
Check Price and Availability of C226-3420, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C226-3420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3420
  • 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 C226-3420 available by request