S646-0088 Screening compound: ethyl 3-({[4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino]carbonyl}amino)propanoate

S646-0088 Screening compound: ethyl 3-({[4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino]carbonyl}amino)propanoate
S646-0088 Screening compound: ethyl 3-({[4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino]carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S646-0088
ethyl 3-({[4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino]carbonyl}amino)propanoate

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

S646-0088

Molecular Formula

C25H37N3O3 (C25 H37 N3 O3)

Compound Name

ethyl 3-({[4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino]carbonyl}amino)propanoate

IUPAC name

ethyl 3-[(4-{1-phenyl-2-azaspiro[3.5]nonan-2-yl}piperidine-1-carbonyl)amino]propanoate

SMILES

CCOC(CCNC(N(CC1)CCC1N(CC12CCCCC2)C1c1ccccc1)=O)=O

InChI

InChI=1S/C25H37N3O3/c1-2-31-22(29)11-16-26-24(30)27-17-12-21(13-18-27)28-19-25(14-7-4-8-15-25)23(28)20-9-5-3-6-10-20/h3,5-6,9-10,21,23H,2,4,7-8,11-19H2,1H3,(H,26,30)/t23-/m1/s1

InChI Key

ZIBGWPXHZZHLJL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD31997392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

0.883

Water Solubility, LogSw

-3.84

Polar Surface Area

49.826

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

10.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

S646-0088 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S646-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S646-0088?
Check Price and Availability of S646-0088, 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 S646-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S646-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S646-0088
  • 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 S646-0088 available by request