M331-0463 Screening compound: N-{5-[(1E)-2-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}propanamide

M331-0463 Screening compound: N-{5-[(1E)-2-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}propanamide
M331-0463 Screening compound: N-{5-[(1E)-2-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0463
N-{5-[(1E)-2-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}propanamide

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

M331-0463

Molecular Formula

C20H25N3O6S2 (C20 H25 N3 O6 S2)

Compound Name

N-{5-[(1E)-2-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}propanamide

IUPAC name

N-{5-[(1E)-2-(5-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}thiophen-2-yl)ethenyl]-3-methyl-12-oxazol-4-yl}propanamide

SMILES

CCC(Nc1c(/C=C/c(s2)ccc2S(N(CC2)CCC22OCCO2)(=O)=O)onc1C)=O

InChI

InChI=1S/C20H25N3O6S2/c1-3-17(24)21-19-14(2)22-29-16(19)6-4-15-5-7-18(30-15)31(25,26)23-10-8-20(9-11-23)27-12-13-28-20/h4-7H,3,8-13H2,1-2H3,(H,21,24)

InChI Key

NPFZYPFWLRYHHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.833

Distribution Coefficient, logD

1.833

Water Solubility, LogSw

-2.55

Polar Surface Area

90.674

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M331-0463 in Drug Discovery

Included in Screening Libraries

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

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 M331-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0463?
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What is the minimum amount of M331-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0463
  • 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 M331-0463 available by request