S594-1199 Screening compound: 9-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-1,2,3,4-tetrahydroacridine

S594-1199 Screening compound: 9-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-1,2,3,4-tetrahydroacridine
S594-1199 Screening compound: 9-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-1,2,3,4-tetrahydroacridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-1199
9-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-1,2,3,4-tetrahydroacridine

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

S594-1199

Molecular Formula

C29H30N4O3 (C29 H30 N4 O3)

Compound Name

9-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-1,2,3,4-tetrahydroacridine

IUPAC name

9-(4-{5-[(4-methylphenoxy)methyl]-124-oxadiazol-3-yl}piperidine-1-carbonyl)-1234-tetrahydroacridine

SMILES

Cc(cc1)ccc1OCc1nc(C(CC2)CCN2C(c2c(CCCC3)c3nc3ccccc23)=O)no1

InChI

InChI=1S/C29H30N4O3/c1-19-10-12-21(13-11-19)35-18-26-31-28(32-36-26)20-14-16-33(17-15-20)29(34)27-22-6-2-4-8-24(22)30-25-9-5-3-7-23(25)27/h2,4,6,8,10-13,20H,3,5,7,9,14-18H2,1H3

InChI Key

CVPCHZBUAMLQCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

5.644

Water Solubility, LogSw

-5.69

Polar Surface Area

65.209

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

S594-1199 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S594-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-1199?
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What is the minimum amount of S594-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-1199
  • 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 S594-1199 available by request