S645-1773 Screening compound: 2-{[1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonan-7-yl]methyl}benzonitrile

S645-1773 Screening compound: 2-{[1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonan-7-yl]methyl}benzonitrile
S645-1773 Screening compound: 2-{[1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonan-7-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S645-1773
2-{[1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonan-7-yl]methyl}benzonitrile

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

S645-1773

Molecular Formula

C22H22FN3O2 (C22 H22 FN3 O2)

Compound Name

2-{[1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonan-7-yl]methyl}benzonitrile

IUPAC name

2-{[1-(3-fluorophenyl)-3-methoxy-2-oxo-17-diazaspiro[3.5]nonan-7-yl]methyl}benzonitrile

SMILES

COC(C1(CCN(Cc(cccc2)c2C#N)CC1)N1c2cccc(F)c2)C1=O

InChI

InChI=1S/C22H22FN3O2/c1-28-20-21(27)26(19-8-4-7-18(23)13-19)22(20)9-11-25(12-10-22)15-17-6-3-2-5-16(17)14-24/h2-8,13,20H,9-12,15H2,1H3/t20-/m0/s1

InChI Key

VMCRYGIKQNWQKG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31965992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-2.87

Polar Surface Area

43.161

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

S645-1773 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S645-1773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S645-1773?
Check Price and Availability of S645-1773, 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 S645-1773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S645-1773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S645-1773
  • 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 S645-1773 available by request