S543-0778 Screening compound: N-cyclopropyl-N-{9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methanesulfonamide

S543-0778 Screening compound: N-cyclopropyl-N-{9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methanesulfonamide
S543-0778 Screening compound: N-cyclopropyl-N-{9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S543-0778
N-cyclopropyl-N-{9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methanesulfonamide

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

S543-0778

Molecular Formula

C21H29FN2O5S (C21 H29 FN2 O5 S)

Compound Name

N-cyclopropyl-N-{9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methanesulfonamide

IUPAC name

N-cyclopropyl-N-{9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}methanesulfonamide

SMILES

CS(N(C1CC1)C1CC(CC2)(CCN2C(COc(cc2)ccc2F)=O)OCC1)(=O)=O

InChI

InChI=1S/C21H29FN2O5S/c1-30(26,27)24(17-4-5-17)18-8-13-29-21(14-18)9-11-23(12-10-21)20(25)15-28-19-6-2-16(22)3-7-19/h2-3,6-7,17-18H,4-5,8-15H2,1H3/t18-/m0/s1

InChI Key

RCVJSNBCBSDRTI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29011488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.767

Distribution Coefficient, logD

1.767

Water Solubility, LogSw

-2.42

Polar Surface Area

62.141

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S543-0778 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S543-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S543-0778?
Check Price and Availability of S543-0778, 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 S543-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S543-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S543-0778
  • 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 S543-0778 available by request