C226-1254 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide

C226-1254 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
C226-1254 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1254
5-(2H-1,3-benzodioxol-5-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-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

C226-1254

Molecular Formula

C24H22N4O4 (C24 H22 N4 O4)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-{35-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-12-oxazole-3-carboxamide

SMILES

Cc(n(Cc1c(C)cccc1)nc1C)c1NC(c1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C24H22N4O4/c1-14-6-4-5-7-18(14)12-28-16(3)23(15(2)26-28)25-24(29)19-11-21(32-27-19)17-8-9-20-22(10-17)31-13-30-20/h4-11H,12-13H2,1-3H3,(H,25,29)

InChI Key

HDAONVWECJBZOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.04

Polar Surface Area

74.867

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C226-1254 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C226-1254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1254?
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What is the minimum amount of C226-1254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1254
  • 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 C226-1254 available by request