8013-3271 Screening compound: 4-methyl-1-{2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonyl}piperidine

8013-3271 Screening compound: 4-methyl-1-{2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonyl}piperidine
8013-3271 Screening compound: 4-methyl-1-{2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3271
4-methyl-1-{2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonyl}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

8013-3271

Molecular Formula

C13H17NO3S (C13 H17 NO3 S)

Compound Name

4-methyl-1-{2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonyl}piperidine

IUPAC name

4-methyl-1-{2H3H-thieno[34-b][14]dioxine-5-carbonyl}piperidine

SMILES

CC(CC1)CCN1C(c1c2OCCOc2cs1)=O

InChI

InChI=1S/C13H17NO3S/c1-9-2-4-14(5-3-9)13(15)12-11-10(8-18-12)16-6-7-17-11/h8-9H,2-7H2,1H3

InChI Key

DDRLGEHQIRZJQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-2.20

Polar Surface Area

33.412

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.54

8013-3271 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 8013-3271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3271?
Check Price and Availability of 8013-3271, 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 8013-3271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3271
  • 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 8013-3271 available by request