G008-4354 Screening compound: 3-methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole

G008-4354 Screening compound: 3-methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole
G008-4354 Screening compound: 3-methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-4354
3-methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole

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

G008-4354

Molecular Formula

C13H16N2O3S2 (C13 H16 N2 O3 S2)

Compound Name

3-methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole

IUPAC name

n/a

SMILES

Cc1noc(-c(s2)ccc2S(N2CCCCC2)(=O)=O)c1

InChI

InChI=1S/C13H16N2O3S2/c1-10-9-11(18-14-10)12-5-6-13(19-12)20(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3

InChI Key

KTXUJNABCNHOAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.12

Polar Surface Area

54.309

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

G008-4354 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G008-4354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-4354?
Check Price and Availability of G008-4354, 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 G008-4354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-4354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-4354
  • 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 G008-4354 available by request