SA47-0168 Screening compound: (7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)[1-(4-methoxyphenyl)cyclohexyl]methanone

SA47-0168 Screening compound: (7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)[1-(4-methoxyphenyl)cyclohexyl]methanone
SA47-0168 Screening compound: (7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)[1-(4-methoxyphenyl)cyclohexyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0168
(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)[1-(4-methoxyphenyl)cyclohexyl]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

SA47-0168

Molecular Formula

C21H29NO4 (C21 H29 NO4)

Compound Name

(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)[1-(4-methoxyphenyl)cyclohexyl]methanone

IUPAC name

2-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-ol

SMILES

CC1(COC(C2)(CN2C(C2(CCCCC2)c(cc2)ccc2OC)=O)C1)O

InChI

InChI=1S/C21H29NO4/c1-19(24)12-20(26-15-19)13-22(14-20)18(23)21(10-4-3-5-11-21)16-6-8-17(25-2)9-7-16/h6-9,24H,3-5,10-15H2,1-2H3/t19-/m0/s1

InChI Key

OLSHZNGQTHDXHR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32237167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.04

Polar Surface Area

47.446

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA47-0168 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA47-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0168?
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What is the minimum amount of SA47-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0168
  • 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 SA47-0168 available by request