SA41-0061 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]{5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methanone

SA41-0061 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]{5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methanone
SA41-0061 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]{5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0061
[7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]{5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methanone

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

SA41-0061

Molecular Formula

C19H20F3N3O3 (C19 H20 F3 N3 O3)

Compound Name

[7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]{5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methanone

IUPAC name

(6-methyl-2-{5-[3-(trifluoromethyl)phenyl]-13-oxazole-4-carbonyl}-26-diazaspiro[3.4]octan-7-yl)methanol

SMILES

CN1C(CO)CC(C2)(CN2C(c2c(-c3cccc(C(F)(F)F)c3)ocn2)=O)C1

InChI

InChI=1S/C19H20F3N3O3/c1-24-8-18(6-14(24)7-26)9-25(10-18)17(27)15-16(28-11-23-15)12-3-2-4-13(5-12)19(20,21)22/h2-5,11,14,26H,6-10H2,1H3/t14-/m0/s1

InChI Key

ZCIWNIMSDIAFDT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32236243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

-2.088

Water Solubility, LogSw

-1.98

Polar Surface Area

56.595

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

SA41-0061 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with SA41-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0061?
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What is the minimum amount of SA41-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0061
  • 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 SA41-0061 available by request