S427-0665 Screening compound: [5-(MORPHOLINOMETHYL)-3-ISOXAZOLYL](3-{[5-(4-PYRIDYL)-1,2,4-OXADIAZOL-3-YL]METHYL}PIPERIDINO)METHANONE

Chemical Structure Depiction of ChemDiv screening compound S427-0665
[5-(MORPHOLINOMETHYL)-3-ISOXAZOLYL](3-{[5-(4-PYRIDYL)-1,2,4-OXADIAZOL-3-YL]METHYL}PIPERIDINO)METHANONE

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S427-0665

Molecular Formula

C₂₂H₂₆N₆O₄ (C22 H26 N6 O4)

Compound Name

[5-(MORPHOLINOMETHYL)-3-ISOXAZOLYL](3-{[5-(4-PYRIDYL)-1,2,4-OXADIAZOL-3-YL]METHYL}PIPERIDINO)METHANONE

IUPAC name

4-{[3-(3-{[5-(pyridin-4-yl)-124-oxadiazol-3-yl]methyl}piperidine-1-carbonyl)-12-oxazol-5-yl]methyl}morpholine

SMILES

O=C(c1noc(CN2CCOCC2)c1)N1CC(Cc2noc(-c3ccncc3)n2)CCC1

InChI

InChI=1S/C22H26N6O4/c29-22(19-13-18(31-25-19)15-27-8-10-30-11-9-27)28-7-1-2-16(14-28)12-20-24-21(32-26-20)17-3-5-23-6-4-17/h3-6,13,16H,1-2,7-12,14-15H2/t16-/m1/s1

InChI Key

GVAHTQIQCDKVQL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29006570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-1.68

Polar Surface Area

91.263

Acid Dissociation Constant (pK_a)

25.28

Base Dissociation Constant (pK_b)

5.73

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

50.00

S427-0665 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Male
Female
Hemic and lymphatic
Skin
Cancer
Musculoskeletal
Female
Hemic and lymphatic
Cardiovascular

Targets:

GPCR
Kinases

Mechanism of action:

Receptor's ligands
PPI modulators
PPI modulators
PPI modulators
Epigenetic

Structure:

Mimetics
Cyclic compounds

References: we are preparing a list of scientific research reports with S427-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0665?
Check Price and Availability of S427-0665, 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 S427-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for S427-0665
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for S427-0665

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 S427-0665 available by request