M090-0145 Screening compound: 8-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

M090-0145 Screening compound: 8-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
M090-0145 Screening compound: 8-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound M090-0145
8-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-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

M090-0145

Molecular Formula

C17H19F3N2O5S2 (C17 H19 F3 N2 O5 S2)

Compound Name

8-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-({25-dimethyl-4-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophen-3-yl}sulfonyl)-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc1c(-c2noc(C(F)(F)F)c2)c(S(N(CC2)CCC22OCCO2)(=O)=O)c(C)s1

InChI

InChI=1S/C17H19F3N2O5S2/c1-10-14(12-9-13(27-21-12)17(18,19)20)15(11(2)28-10)29(23,24)22-5-3-16(4-6-22)25-7-8-26-16/h9H,3-8H2,1-2H3

InChI Key

LPHNZIPWFKZHIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.62

Polar Surface Area

68.940

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

M090-0145 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M090-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M090-0145?
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What is the minimum amount of M090-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M090-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M090-0145
  • 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 M090-0145 available by request