8009-0248 Screening compound: 2-(piperidine-1-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

8009-0248 Screening compound: 2-(piperidine-1-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
8009-0248 Screening compound: 2-(piperidine-1-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0248
2-(piperidine-1-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

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

8009-0248

Molecular Formula

C23H25NO4S (C23 H25 NO4 S)

Compound Name

2-(piperidine-1-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

IUPAC name

2-(piperidine-1-carbothioyl)phenyl (2E)-3-(34-dimethoxyphenyl)prop-2-enoate

SMILES

COc(ccc(/C=C/C(Oc(cccc1)c1C(N1CCCCC1)=S)=O)c1)c1OC

InChI

InChI=1S/C23H25NO4S/c1-26-20-12-10-17(16-21(20)27-2)11-13-22(25)28-19-9-5-4-8-18(19)23(29)24-14-6-3-7-15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3

InChI Key

GNAGJCINPHXIEX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.44

Polar Surface Area

37.317

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 8009-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0248?
Check Price and Availability of 8009-0248, 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 8009-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0248
  • 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 8009-0248 available by request