S835-2695 Screening compound: 4-({methyl[(5-methyl-2-pyridyl)methyl]amino}methyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

S835-2695 Screening compound: 4-({methyl[(5-methyl-2-pyridyl)methyl]amino}methyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
S835-2695 Screening compound: 4-({methyl[(5-methyl-2-pyridyl)methyl]amino}methyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S835-2695
4-({methyl[(5-methyl-2-pyridyl)methyl]amino}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

S835-2695

Molecular Formula

C18H29N3O2 (C18 H29 N3 O2)

Compound Name

4-({methyl[(5-methyl-2-pyridyl)methyl]amino}methyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

IUPAC name

n/a

SMILES

Cc1cnc(CN(C)CC2(CC3(CCNCC3)OCC2)O)cc1

InChI

InChI=1S/C18H29N3O2/c1-15-3-4-16(20-11-15)12-21(2)14-17(22)7-10-23-18(13-17)5-8-19-9-6-18/h3-4,11,19,22H,5-10,12-14H2,1-2H3/t17-/m0/s1

InChI Key

NSJVZSKABIWHBH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30459124

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.452

Distribution Coefficient, logD

-2.491

Water Solubility, LogSw

-1.49

Polar Surface Area

48.043

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.20

S835-2695 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S835-2695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S835-2695?
Check Price and Availability of S835-2695, 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 S835-2695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S835-2695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S835-2695
  • 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 S835-2695 available by request