D491-4785 Screening compound: 1-[2-(pyridin-2-yl)ethyl]-4-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperazine

D491-4785 Screening compound: 1-[2-(pyridin-2-yl)ethyl]-4-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperazine
D491-4785 Screening compound: 1-[2-(pyridin-2-yl)ethyl]-4-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4785
1-[2-(pyridin-2-yl)ethyl]-4-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperazine

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

D491-4785

Molecular Formula

C25H28N4O2 (C25 H28 N4 O2)

Compound Name

1-[2-(pyridin-2-yl)ethyl]-4-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]piperazine

IUPAC name

1-[2-(pyridin-2-yl)ethyl]-4-[5-(5678-tetrahydronaphthalen-2-yl)-12-oxazole-3-carbonyl]piperazine

SMILES

O=C(c1noc(-c2cc(CCCC3)c3cc2)c1)N1CCN(CCc2ncccc2)CC1

InChI

InChI=1S/C25H28N4O2/c30-25(29-15-13-28(14-16-29)12-10-22-7-3-4-11-26-22)23-18-24(31-27-23)21-9-8-19-5-1-2-6-20(19)17-21/h3-4,7-9,11,17-18H,1-2,5-6,10,12-16H2

InChI Key

UXCSWEOCVJICKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-4.02

Polar Surface Area

51.405

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D491-4785 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D491-4785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4785?
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What is the minimum amount of D491-4785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4785
  • 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 D491-4785 available by request