P327-0251 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-ethyl-2-methyl-4H,5H-thieno[3,2-c]pyridin-4-one

P327-0251 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-ethyl-2-methyl-4H,5H-thieno[3,2-c]pyridin-4-one
P327-0251 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-ethyl-2-methyl-4H,5H-thieno[3,2-c]pyridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P327-0251
3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-ethyl-2-methyl-4H,5H-thieno[3,2-c]pyridin-4-one

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

P327-0251

Molecular Formula

C18H22N2O4S (C18 H22 N2 O4 S)

Compound Name

3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-ethyl-2-methyl-4H,5H-thieno[3,2-c]pyridin-4-one

IUPAC name

3-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-ethyl-2-methyl-4H5H-thieno[32-c]pyridin-4-one

SMILES

CCN(C=Cc1c2c(C(N(CC3)CCC33OCCO3)=O)c(C)s1)C2=O

InChI

InChI=1S/C18H22N2O4S/c1-3-19-7-4-13-15(17(19)22)14(12(2)25-13)16(21)20-8-5-18(6-9-20)23-10-11-24-18/h4,7H,3,5-6,8-11H2,1-2H3

InChI Key

XDRCFSOBNXQJPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.230

Distribution Coefficient, logD

1.230

Water Solubility, LogSw

-1.62

Polar Surface Area

47.781

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

P327-0251 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P327-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P327-0251?
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What is the minimum amount of P327-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P327-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P327-0251
  • 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 P327-0251 available by request