P166-1585 Screening compound: 8-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,4-dioxa-8-azaspiro[4.5]decane

P166-1585 Screening compound: 8-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,4-dioxa-8-azaspiro[4.5]decane
P166-1585 Screening compound: 8-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-1585
8-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,4-dioxa-8-azaspiro[4.5]decane

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

P166-1585

Molecular Formula

C21H29N5O3 (C21 H29 N5 O3)

Compound Name

8-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-({3-[6-(azepan-1-yl)pyridin-3-yl]-124-oxadiazol-5-yl}methyl)-14-dioxa-8-azaspiro[4.5]decane

SMILES

C(c1nc(-c(cc2)cnc2N2CCCCCC2)no1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C21H29N5O3/c1-2-4-10-26(9-3-1)18-6-5-17(15-22-18)20-23-19(29-24-20)16-25-11-7-21(8-12-25)27-13-14-28-21/h5-6,15H,1-4,7-14,16H2

InChI Key

RPAAHNSRNHKUTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.439

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.26

Polar Surface Area

62.135

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

P166-1585 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P166-1585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-1585?
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What is the minimum amount of P166-1585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-1585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-1585
  • 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 P166-1585 available by request