SA47-0180 Screening compound: [3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl](7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)methanone

SA47-0180 Screening compound: [3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl](7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)methanone
SA47-0180 Screening compound: [3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl](7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0180
[3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl](7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-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

SA47-0180

Molecular Formula

C19H23N3O3 (C19 H23 N3 O3)

Compound Name

[3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl](7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]oct-2-yl)methanone

IUPAC name

2-[3-(24-dimethylphenyl)-1H-pyrazole-5-carbonyl]-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-ol

SMILES

CC1(COC(C2)(CN2C(c2cc(-c3c(C)cc(C)cc3)n[nH]2)=O)C1)O

InChI

InChI=1S/C19H23N3O3/c1-12-4-5-14(13(2)6-12)15-7-16(21-20-15)17(23)22-9-19(10-22)8-18(3,24)11-25-19/h4-7,24H,8-11H2,1-3H3,(H,20,21)/t18-/m0/s1

InChI Key

JPSAMIBBZAVOQK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32237173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.00

Polar Surface Area

62.472

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

SA47-0180 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with SA47-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0180?
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What is the minimum amount of SA47-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0180
  • 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 SA47-0180 available by request