S835-1346 Screening compound: 4-methyl-9-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

S835-1346 Screening compound: 4-methyl-9-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
S835-1346 Screening compound: 4-methyl-9-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S835-1346
4-methyl-9-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-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

S835-1346

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

4-methyl-9-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

IUPAC name

4-methyl-9-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

SMILES

CC1(CC2(CCN(Cc3c[nH]nc3-c3ccccc3)CC2)OCC1)O

InChI

InChI=1S/C20H27N3O2/c1-19(24)9-12-25-20(15-19)7-10-23(11-8-20)14-17-13-21-22-18(17)16-5-3-2-4-6-16/h2-6,13,24H,7-12,14-15H2,1H3,(H,21,22)/t19-/m0/s1

InChI Key

ZUNJFJBJLCOPFR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30467602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.464

Distribution Coefficient, logD

-0.125

Water Solubility, LogSw

-2.33

Polar Surface Area

50.194

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

9.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S835-1346 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S835-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S835-1346?
Check Price and Availability of S835-1346, 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 S835-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S835-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S835-1346
  • 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 S835-1346 available by request