S647-0244 Screening compound: 1-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonane

S647-0244 Screening compound: 1-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonane
S647-0244 Screening compound: 1-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S647-0244
1-phenyl-2-(propan-2-yl)-2,7-diazaspiro[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

S647-0244

Molecular Formula

C16H24N2 (C16 H24 N2)

Compound Name

1-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonane

IUPAC name

1-phenyl-2-(propan-2-yl)-27-diazaspiro[3.5]nonane

SMILES

CC(C)N(CC12CCNCC2)C1c1ccccc1

InChI

InChI=1S/C16H24N2/c1-13(2)18-12-16(8-10-17-11-9-16)15(18)14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3/t15-/m1/s1

InChI Key

WIGXVRONOWQAGG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28897776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.159

Distribution Coefficient, logD

-2.217

Water Solubility, LogSw

-2.12

Polar Surface Area

15.686

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

11.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S647-0244 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S647-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S647-0244?
Check Price and Availability of S647-0244, 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 S647-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S647-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S647-0244
  • 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 S647-0244 available by request