C226-1249 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide

C226-1249 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
C226-1249 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1249
5-(2H-1,3-benzodioxol-5-yl)-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-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

C226-1249

Molecular Formula

C23H19ClN4O4 (C23 H19 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc(cc1)ccc1Cl)nc1C)c1NC(c1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C23H19ClN4O4/c1-13-22(14(2)28(26-13)11-15-3-6-17(24)7-4-15)25-23(29)18-10-20(32-27-18)16-5-8-19-21(9-16)31-12-30-19/h3-10H,11-12H2,1-2H3,(H,25,29)

InChI Key

VUHMKNFFWGTAFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.88

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

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.38

Polar Surface Area

74.867

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C226-1249 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C226-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1249?
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What is the minimum amount of C226-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1249
  • 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 C226-1249 available by request