S835-1738 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-1-propanone

S835-1738 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-1-propanone
S835-1738 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S835-1738
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-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

S835-1738

Molecular Formula

C18H29N3O3 (C18 H29 N3 O3)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)-1-propanone

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-{4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl}propan-1-one

SMILES

CC1(CC(CC2)(CCN2C(CCn2nc(C)cc2C)=O)OCC1)O

InChI

InChI=1S/C18H29N3O3/c1-14-12-15(2)21(19-14)8-4-16(22)20-9-5-18(6-10-20)13-17(3,23)7-11-24-18/h12,23H,4-11,13H2,1-3H3/t17-/m0/s1

InChI Key

IRQGEHHADWOEFJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30468423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

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

0.245

Distribution Coefficient, logD

0.245

Water Solubility, LogSw

-0.67

Polar Surface Area

52.378

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

S835-1738 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S835-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S835-1738?
Check Price and Availability of S835-1738, 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 S835-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S835-1738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S835-1738
  • 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 S835-1738 available by request