C226-2842 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-ethyl-1,2-oxazole-3-carboxamide

C226-2842 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-ethyl-1,2-oxazole-3-carboxamide
C226-2842 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-ethyl-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-2842
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-ethyl-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

C226-2842

Molecular Formula

C18H20N4O2 (C18 H20 N4 O2)

Compound Name

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-ethyl-1,2-oxazole-3-carboxamide

IUPAC name

N-(1-benzyl-35-dimethyl-1H-pyrazol-4-yl)-5-ethyl-12-oxazole-3-carboxamide

SMILES

CCc1cc(C(Nc2c(C)n(Cc3ccccc3)nc2C)=O)no1

InChI

InChI=1S/C18H20N4O2/c1-4-15-10-16(21-24-15)18(23)19-17-12(2)20-22(13(17)3)11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,19,23)

InChI Key

SYNBWYZSNOSUDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.93

Polar Surface Area

57.193

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C226-2842 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C226-2842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-2842?
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What is the minimum amount of C226-2842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-2842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-2842
  • 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 C226-2842 available by request