C226-4092 Screening compound: N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carboxamide

C226-4092 Screening compound: N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carboxamide
C226-4092 Screening compound: N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4092
N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-7-methoxy-4H,5H-naphtho[2,1-d][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

C226-4092

Molecular Formula

C23H19FN4O3 (C23 H19 FN4 O3)

Compound Name

N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carboxamide

IUPAC name

N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-7-methoxy-4H5H-naphtho[21-d][12]oxazole-3-carboxamide

SMILES

COc(cc1)cc(CC2)c1-c1c2c(C(Nc2cn(Cc(cc3)ccc3F)nc2)=O)no1

InChI

InChI=1S/C23H19FN4O3/c1-30-18-7-9-19-15(10-18)4-8-20-21(27-31-22(19)20)23(29)26-17-11-25-28(13-17)12-14-2-5-16(24)6-3-14/h2-3,5-7,9-11,13H,4,8,12H2,1H3,(H,26,29)

InChI Key

ZGMPJWMMCXZZTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.20

Polar Surface Area

67.460

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C226-4092 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C226-4092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4092?
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What is the minimum amount of C226-4092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4092
  • 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 C226-4092 available by request