S971-0580 Screening compound: 7-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-7-azaspiro[3.5]nonan-1-ol

S971-0580 Screening compound: 7-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-7-azaspiro[3.5]nonan-1-ol
S971-0580 Screening compound: 7-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0580
7-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-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

S971-0580

Molecular Formula

C22H30N2O3 (C22 H30 N2 O3)

Compound Name

7-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-({3-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-7-azaspiro[3.5]nonan-1-ol

SMILES

Cc1noc(C)c1Cc(cc(CN(CC1)CCC1(CC1)C1O)cc1)c1OC

InChI

InChI=1S/C22H30N2O3/c1-15-19(16(2)27-23-15)13-18-12-17(4-5-20(18)26-3)14-24-10-8-22(9-11-24)7-6-21(22)25/h4-5,12,21,25H,6-11,13-14H2,1-3H3/t21-/m0/s1

InChI Key

UJBCDAUZKJTVIR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32231842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

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

2.785

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-2.90

Polar Surface Area

49.235

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S971-0580 in Drug Discovery

Included in Screening Libraries

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

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S971-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0580?
Check Price and Availability of S971-0580, 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 S971-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0580
  • 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 S971-0580 available by request