S835-1640 Screening compound: 9-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol

S835-1640 Screening compound: 9-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol
S835-1640 Screening compound: 9-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S835-1640
9-{[3-(4-methylphenyl)-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

S835-1640

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1n[nH]cc1CN(CC1)CCC1(C1)OCCC1O

InChI

InChI=1S/C20H27N3O2/c1-15-2-4-16(5-3-15)19-17(13-21-22-19)14-23-9-7-20(8-10-23)12-18(24)6-11-25-20/h2-5,13,18,24H,6-12,14H2,1H3,(H,21,22)/t18-/m1/s1

InChI Key

ZGSRWLWCTPTUAP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD30468421

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

2.540

Distribution Coefficient, logD

-0.003

Water Solubility, LogSw

-2.55

Polar Surface Area

50.485

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S835-1640 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S835-1640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S835-1640?
Check Price and Availability of S835-1640, 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 S835-1640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S835-1640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S835-1640
  • 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 S835-1640 available by request