S339-0713 Screening compound: 1-(3-methylthiophene-2-carbonyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

Chemical Structure Depiction of ChemDiv screening compound S339-0713
1-(3-methylthiophene-2-carbonyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S339-0713

Molecular Formula

C₂₀H₂₁N₃O₂S (C20 H21 N3 O2 S)

Compound Name

1-(3-methylthiophene-2-carbonyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

IUPAC name

1-(3-methylthiophene-2-carbonyl)-4-[(3-phenyl-124-oxadiazol-5-yl)methyl]piperidine

SMILES

Cc1c(C(N2CCC(Cc3nc(-c4ccccc4)no3)CC2)=O)scc1

InChI

InChI=1S/C20H21N3O2S/c1-14-9-12-26-18(14)20(24)23-10-7-15(8-11-23)13-17-21-19(22-25-17)16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3

InChI Key

VIVYTZSUXODTLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28976227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

4.816

Water Solubility, LogSw

-4.66

Polar Surface Area

48.977

Acid Dissociation Constant (pK_a)

26.00

Base Dissociation Constant (pK_b)

4.80

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

35.00

S339-0713 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Musculoskeletal
Metabolic
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Nervous system
Eye
Cancer
Musculoskeletal
Female
Hemic and lymphatic
Cardiovascular

Mechanism of action:

Epigenetic
Receptor's ligands
PPI modulators
PPI modulators
PPI modulators
PPI modulators
Epigenetic

Targets:

GPCR
Ion Channels

Structure:

Mimetics
Mimetics
Cyclic compounds

References: we are preparing a list of scientific research reports with S339-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-0713?
Check Price and Availability of S339-0713, 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 S339-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for S339-0713
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for S339-0713

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 S339-0713 available by request