SA91-0243 Screening compound: N-[2-(dimethylamino)ethyl]-1'-(ethylsulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide

SA91-0243 Screening compound: N-[2-(dimethylamino)ethyl]-1'-(ethylsulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide
SA91-0243 Screening compound: N-[2-(dimethylamino)ethyl]-1'-(ethylsulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA91-0243
N-[2-(dimethylamino)ethyl]-1'-(ethylsulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-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

SA91-0243

Molecular Formula

C20H30N4O4S (C20 H30 N4 O4 S)

Compound Name

N-[2-(dimethylamino)ethyl]-1'-(ethylsulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxamide

IUPAC name

N-[2-(dimethylamino)ethyl]-1'-(ethanesulfonyl)-1-methyl-2-oxo-12-dihydrospiro[indole-34'-piperidine]-5-carboxamide

SMILES

CCS(N(CC1)CCC1(c(cc(cc1)C(NCCN(C)C)=O)c1N1C)C1=O)(=O)=O

InChI

InChI=1S/C20H30N4O4S/c1-5-29(27,28)24-11-8-20(9-12-24)16-14-15(18(25)21-10-13-22(2)3)6-7-17(16)23(4)19(20)26/h6-7,14H,5,8-13H2,1-4H3,(H,21,25)

InChI Key

KXWFMDBHYBEGPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32243187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.338

Distribution Coefficient, logD

-0.502

Water Solubility, LogSw

-2.48

Polar Surface Area

75.742

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

SA91-0243 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA91-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA91-0243?
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What is the minimum amount of SA91-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA91-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA91-0243
  • 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 SA91-0243 available by request