P642-0958 Screening compound: ethyl 1-{3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate

P642-0958 Screening compound: ethyl 1-{3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate
P642-0958 Screening compound: ethyl 1-{3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-0958
ethyl 1-{3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate

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

P642-0958

Molecular Formula

C22H29N5O4 (C22 H29 N5 O4)

Compound Name

ethyl 1-{3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{3-[2-(azepan-1-yl)pyridin-4-yl]-124-oxadiazole-5-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1nc(-c2cc(N3CCCCCC3)ncc2)no1)=O)=O

InChI

InChI=1S/C22H29N5O4/c1-2-30-22(29)16-8-13-27(14-9-16)21(28)20-24-19(25-31-20)17-7-10-23-18(15-17)26-11-5-3-4-6-12-26/h7,10,15-16H,2-6,8-9,11-14H2,1H3

InChI Key

XRDNCXHLLYKKTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-3.84

Polar Surface Area

81.613

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

P642-0958 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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

References: we are preparing a list of scientific research reports with P642-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-0958?
Check Price and Availability of P642-0958, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P642-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-0958
  • 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 P642-0958 available by request