P166-0877 Screening compound: 1-(5-{5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane

P166-0877 Screening compound: 1-(5-{5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane
P166-0877 Screening compound: 1-(5-{5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-0877
1-(5-{5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane

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

P166-0877

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

1-(5-{5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane

IUPAC name

1-(5-{5-[(4-methoxyphenoxy)methyl]-124-oxadiazol-3-yl}pyridin-2-yl)azepane

SMILES

COc(cc1)ccc1OCc1nc(-c(cc2)cnc2N2CCCCCC2)no1

InChI

InChI=1S/C21H24N4O3/c1-26-17-7-9-18(10-8-17)27-15-20-23-21(24-28-20)16-6-11-19(22-14-16)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3

InChI Key

FXOKJPIPLDXERC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

4.321

Water Solubility, LogSw

-4.44

Polar Surface Area

58.737

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P166-0877 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P166-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-0877?
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What is the minimum amount of P166-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-0877
  • 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 P166-0877 available by request