S630-0441 Screening compound: 2-(3-fluorophenyl)-7-[(3-fluoropyridin-4-yl)methyl]-3-phenyl-2,7-diazaspiro[3.5]nonan-1-one

S630-0441 Screening compound: 2-(3-fluorophenyl)-7-[(3-fluoropyridin-4-yl)methyl]-3-phenyl-2,7-diazaspiro[3.5]nonan-1-one
S630-0441 Screening compound: 2-(3-fluorophenyl)-7-[(3-fluoropyridin-4-yl)methyl]-3-phenyl-2,7-diazaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S630-0441
2-(3-fluorophenyl)-7-[(3-fluoropyridin-4-yl)methyl]-3-phenyl-2,7-diazaspiro[3.5]nonan-1-one

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

S630-0441

Molecular Formula

C25H23F2N3O (C25 H23 F2 N3 O)

Compound Name

2-(3-fluorophenyl)-7-[(3-fluoropyridin-4-yl)methyl]-3-phenyl-2,7-diazaspiro[3.5]nonan-1-one

IUPAC name

2-(3-fluorophenyl)-7-[(3-fluoropyridin-4-yl)methyl]-3-phenyl-27-diazaspiro[3.5]nonan-1-one

SMILES

O=C(C1(CCN(Cc(ccnc2)c2F)CC1)C1c2ccccc2)N1c1cc(F)ccc1

InChI

InChI=1S/C25H23F2N3O/c26-20-7-4-8-21(15-20)30-23(18-5-2-1-3-6-18)25(24(30)31)10-13-29(14-11-25)17-19-9-12-28-16-22(19)27/h1-9,12,15-16,23H,10-11,13-14,17H2/t23-/m0/s1

InChI Key

MYLOZIYFQNHYJB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD31963439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-4.09

Polar Surface Area

28.621

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

S630-0441 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)

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
  • 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 S630-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S630-0441?
Check Price and Availability of S630-0441, 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 S630-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S630-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S630-0441
  • 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 S630-0441 available by request