S646-0031 Screening compound: 2-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonane

S646-0031 Screening compound: 2-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonane
S646-0031 Screening compound: 2-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S646-0031
2-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonane

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

S646-0031

Molecular Formula

C28H33N3O (C28 H33 N3 O)

Compound Name

2-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonane

IUPAC name

2-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonane

SMILES

O=C(c(cc1)cc2c1[nH]cc2)N(CC1)CCC1N(CC12CCCCC2)C1c1ccccc1

InChI

InChI=1S/C28H33N3O/c32-27(23-9-10-25-22(19-23)11-16-29-25)30-17-12-24(13-18-30)31-20-28(14-5-2-6-15-28)26(31)21-7-3-1-4-8-21/h1,3-4,7-11,16,19,24,26,29H,2,5-6,12-15,17-18,20H2/t26-/m1/s1

InChI Key

DBOBQNHPNVPFMX-AREMUKBSSA-N

MDL Number (MFCD)

MFCD31997023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-5.06

Polar Surface Area

29.192

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

10.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.43

S646-0031 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S646-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S646-0031?
Check Price and Availability of S646-0031, 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 S646-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S646-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S646-0031
  • 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 S646-0031 available by request