P642-0338 Screening compound: 8-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

P642-0338 Screening compound: 8-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
P642-0338 Screening compound: 8-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-0338
8-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-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

P642-0338

Molecular Formula

C19H23N5O4 (C19 H23 N5 O4)

Compound Name

8-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-124-oxadiazole-5-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1nc(-c2cc(N3CCCC3)ncc2)no1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C19H23N5O4/c25-18(24-9-4-19(5-10-24)26-11-12-27-19)17-21-16(22-28-17)14-3-6-20-15(13-14)23-7-1-2-8-23/h3,6,13H,1-2,4-5,7-12H2

InChI Key

HWRKKTQVINARDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.48

Polar Surface Area

75.331

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

P642-0338 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 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 P642-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-0338?
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What is the minimum amount of P642-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-0338
  • 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 P642-0338 available by request