C226-3851 Screening compound: 5-tert-butyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C226-3851 Screening compound: 5-tert-butyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
C226-3851 Screening compound: 5-tert-butyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3851
5-tert-butyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-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

C226-3851

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

5-tert-butyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

IUPAC name

5-tert-butyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4567-tetrahydro-12-benzoxazole-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1onc2C(Nc1cc(C)nn1-c1ccccc1)=O

InChI

InChI=1S/C22H26N4O2/c1-14-12-19(26(24-14)16-8-6-5-7-9-16)23-21(27)20-17-13-15(22(2,3)4)10-11-18(17)28-25-20/h5-9,12,15H,10-11,13H2,1-4H3,(H,23,27)/t15-/m1/s1

InChI Key

ARHUUGNIHSKENJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09783154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

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

4.539

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.29

Polar Surface Area

59.971

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C226-3851 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C226-3851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3851?
Check Price and Availability of C226-3851, 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 C226-3851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3851
  • 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 C226-3851 available by request