S630-0186 Screening compound: methyl 2-{[2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino}acetate

S630-0186 Screening compound: methyl 2-{[2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino}acetate
S630-0186 Screening compound: methyl 2-{[2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S630-0186
methyl 2-{[2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino}acetate

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

S630-0186

Molecular Formula

C23H24FN3O4 (C23 H24 FN3 O4)

Compound Name

methyl 2-{[2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino}acetate

IUPAC name

methyl 2-{[2-(3-fluorophenyl)-1-oxo-3-phenyl-27-diazaspiro[3.5]nonane-7-carbonyl]amino}acetate

SMILES

COC(CNC(N(CC1)CCC1(C(c1ccccc1)N1c2cccc(F)c2)C1=O)=O)=O

InChI

InChI=1S/C23H24FN3O4/c1-31-19(28)15-25-22(30)26-12-10-23(11-13-26)20(16-6-3-2-4-7-16)27(21(23)29)18-9-5-8-17(24)14-18/h2-9,14,20H,10-13,15H2,1H3,(H,25,30)/t20-/m0/s1

InChI Key

WFWPHXICAZOEEP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31988598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.330

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-2.89

Polar Surface Area

63.012

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

S630-0186 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S630-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S630-0186?
Check Price and Availability of S630-0186, 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 S630-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S630-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S630-0186
  • 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 S630-0186 available by request