SA41-0062 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][4-(trifluoromethoxy)phenyl]methanone

SA41-0062 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][4-(trifluoromethoxy)phenyl]methanone
SA41-0062 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][4-(trifluoromethoxy)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0062
[7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][4-(trifluoromethoxy)phenyl]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

SA41-0062

Molecular Formula

C16H19F3N2O3 (C16 H19 F3 N2 O3)

Compound Name

[7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][4-(trifluoromethoxy)phenyl]methanone

IUPAC name

{6-methyl-2-[4-(trifluoromethoxy)benzoyl]-26-diazaspiro[3.4]octan-7-yl}methanol

SMILES

CN1C(CO)CC(C2)(CN2C(c(cc2)ccc2OC(F)(F)F)=O)C1

InChI

InChI=1S/C16H19F3N2O3/c1-20-8-15(6-12(20)7-22)9-21(10-15)14(23)11-2-4-13(5-3-11)24-16(17,18)19/h2-5,12,22H,6-10H2,1H3/t12-/m0/s1

InChI Key

PQVFQLDSPWHXGA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD32236244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.644

Distribution Coefficient, logD

-2.058

Water Solubility, LogSw

-2.03

Polar Surface Area

43.696

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

SA41-0062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA41-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0062?
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What is the minimum amount of SA41-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0062
  • 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 SA41-0062 available by request