D492-0069 Screening compound: 5-(4-ethoxyphenyl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

D492-0069 Screening compound: 5-(4-ethoxyphenyl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide
D492-0069 Screening compound: 5-(4-ethoxyphenyl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D492-0069
5-(4-ethoxyphenyl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-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

D492-0069

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

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

IUPAC name

5-(4-ethoxyphenyl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-12-oxazole-3-carboxamide

SMILES

CCOc(cc1)ccc1-c1cc(C(Nc2ccnn2Cc2cccs2)=O)no1

InChI

InChI=1S/C20H18N4O3S/c1-2-26-15-7-5-14(6-8-15)18-12-17(23-27-18)20(25)22-19-9-10-21-24(19)13-16-4-3-11-28-16/h3-12H,2,13H2,1H3,(H,22,25)

InChI Key

JBYGCMOSMZEJJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.04

Polar Surface Area

67.440

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D492-0069 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D492-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D492-0069?
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What is the minimum amount of D492-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D492-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D492-0069
  • 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 D492-0069 available by request