S594-1183 Screening compound: 1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine

S594-1183 Screening compound: 1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine
S594-1183 Screening compound: 1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-1183
1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine

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

S594-1183

Molecular Formula

C26H34N4O4 (C26 H34 N4 O4)

Compound Name

1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine

IUPAC name

1-[1-(3-methoxypropyl)-25-dimethyl-1H-pyrrole-3-carbonyl]-4-{5-[(4-methylphenoxy)methyl]-124-oxadiazol-3-yl}piperidine

SMILES

Cc1cc(C(N(CC2)CCC2c2noc(COc3ccc(C)cc3)n2)=O)c(C)n1CCCOC

InChI

InChI=1S/C26H34N4O4/c1-18-6-8-22(9-7-18)33-17-24-27-25(28-34-24)21-10-13-29(14-11-21)26(31)23-16-19(2)30(20(23)3)12-5-15-32-4/h6-9,16,21H,5,10-15,17H2,1-4H3

InChI Key

DOBCUMLNXFFBBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31989521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-3.73

Polar Surface Area

65.971

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S594-1183 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S594-1183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-1183?
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What is the minimum amount of S594-1183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-1183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-1183
  • 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 S594-1183 available by request