S835-1224 Screening compound: 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone

S835-1224 Screening compound: 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
S835-1224 Screening compound: 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S835-1224
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone

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

S835-1224

Molecular Formula

C17H27N3O3 (C17 H27 N3 O3)

Compound Name

1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone

IUPAC name

1-{4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one

SMILES

CC1(CC(CC2)(CCN2C(CCn2ncc(C)c2)=O)OCC1)O

InChI

InChI=1S/C17H27N3O3/c1-14-11-18-20(12-14)7-3-15(21)19-8-4-17(5-9-19)13-16(2,22)6-10-23-17/h11-12,22H,3-10,13H2,1-2H3/t16-/m0/s1

InChI Key

MATKSICMKQWDQK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30468372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.527

Distribution Coefficient, logD

0.527

Water Solubility, LogSw

-0.52

Polar Surface Area

53.148

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

S835-1224 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S835-1224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S835-1224?
Check Price and Availability of S835-1224, 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 S835-1224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S835-1224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S835-1224
  • 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 S835-1224 available by request