S971-0486 Screening compound: 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol

S971-0486 Screening compound: 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol
S971-0486 Screening compound: 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0486
7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol

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

S971-0486

Molecular Formula

C17H26N2O3 (C17 H26 N2 O3)

Compound Name

7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-(35-dimethyl-12-oxazole-4-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol

SMILES

CCCC(CC1)(C1(CC1)CCN1C(c1c(C)onc1C)=O)O

InChI

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

InChI Key

DONPBFPBCCRSSM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32231637

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

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-1.65

Polar Surface Area

54.643

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

S971-0486 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 S971-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0486?
Check Price and Availability of S971-0486, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S971-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0486
  • 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 S971-0486 available by request