S630-0181 Screening compound: N-benzyl-2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

S630-0181 Screening compound: N-benzyl-2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
S630-0181 Screening compound: N-benzyl-2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S630-0181
N-benzyl-2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

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

S630-0181

Molecular Formula

C27H26FN3O2 (C27 H26 FN3 O2)

Compound Name

N-benzyl-2-(3-fluorophenyl)-1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

IUPAC name

N-benzyl-2-(3-fluorophenyl)-1-oxo-3-phenyl-27-diazaspiro[3.5]nonane-7-carboxamide

SMILES

O=C(NCc1ccccc1)N(CC1)CCC1(C(c1ccccc1)N1c2cccc(F)c2)C1=O

InChI

InChI=1S/C27H26FN3O2/c28-22-12-7-13-23(18-22)31-24(21-10-5-2-6-11-21)27(25(31)32)14-16-30(17-15-27)26(33)29-19-20-8-3-1-4-9-20/h1-13,18,24H,14-17,19H2,(H,29,33)/t24-/m0/s1

InChI Key

ARWPNHNJRPYVBW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD31978900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.24

Polar Surface Area

42.162

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

S630-0181 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
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 S630-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S630-0181?
Check Price and Availability of S630-0181, 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 S630-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S630-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S630-0181
  • 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 S630-0181 available by request