S971-0346 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

S971-0346 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one
S971-0346 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0346
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

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

S971-0346

Molecular Formula

C17H26N2O3 (C17 H26 N2 O3)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

SMILES

CCC(CC1)(C1(CC1)CCN1C(Cc1c(C)onc1C)=O)O

InChI

InChI=1S/C17H26N2O3/c1-4-17(21)6-5-16(17)7-9-19(10-8-16)15(20)11-14-12(2)18-22-13(14)3/h21H,4-11H2,1-3H3/t17-/m0/s1

InChI Key

NGAIXVDXERCQDR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32231370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

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

1.689

Distribution Coefficient, logD

1.689

Water Solubility, LogSw

-1.25

Polar Surface Area

54.116

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

S971-0346 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S971-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0346?
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What is the minimum amount of S971-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0346
  • 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 S971-0346 available by request