S543-0902 Screening compound: N~1~-cyclopropyl-N~1~-{9-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanesulfonamide

S543-0902 Screening compound: N~1~-cyclopropyl-N~1~-{9-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanesulfonamide
S543-0902 Screening compound: N~1~-cyclopropyl-N~1~-{9-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S543-0902
N~1~-cyclopropyl-N~1~-{9-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanesulfonamide

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

S543-0902

Molecular Formula

C20H31N3O4S (C20 H31 N3 O4 S)

Compound Name

N~1~-cyclopropyl-N~1~-{9-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanesulfonamide

IUPAC name

N-cyclopropyl-N-[9-(1-methyl-1H-pyrrole-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethane-1-sulfonamide

SMILES

CCS(N(C1CC1)C1CC(CC2)(CCN2C(c2cccn2C)=O)OCC1)(=O)=O

InChI

InChI=1S/C20H31N3O4S/c1-3-28(25,26)23(16-6-7-16)17-8-14-27-20(15-17)9-12-22(13-10-20)19(24)18-5-4-11-21(18)2/h4-5,11,16-17H,3,6-10,12-15H2,1-2H3/t17-/m0/s1

InChI Key

WXAZHWOQWQKCEP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31975162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-2.57

Polar Surface Area

57.988

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S543-0902 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS MPO Library (28609 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:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
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 S543-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S543-0902?
Check Price and Availability of S543-0902, 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 S543-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S543-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S543-0902
  • 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 S543-0902 available by request