D492-0071 Screening compound: 5-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

D492-0071 Screening compound: 5-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide
D492-0071 Screening compound: 5-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D492-0071
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-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

D492-0071

Molecular Formula

C22H20N4O2S (C22 H20 N4 O2 S)

Compound Name

5-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

IUPAC name

5-(5678-tetrahydronaphthalen-2-yl)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c2cc(CCCC3)c3cc2)c1)Nc1ccnn1Cc1cccs1

InChI

InChI=1S/C22H20N4O2S/c27-22(24-21-9-10-23-26(21)14-18-6-3-11-29-18)19-13-20(28-25-19)17-8-7-15-4-1-2-5-16(15)12-17/h3,6-13H,1-2,4-5,14H2,(H,24,27)

InChI Key

AVZPXOVODWSGSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

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

4.924

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-5.01

Polar Surface Area

60.237

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D492-0071 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D492-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D492-0071?
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What is the minimum amount of D492-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D492-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D492-0071
  • 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 D492-0071 available by request