2989-0086 Screening compound: 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine

2989-0086 Screening compound: 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine
2989-0086 Screening compound: 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2989-0086
2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine

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

2989-0086

Molecular Formula

C12H17NO3S (C12 H17 NO3 S)

Compound Name

2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine

IUPAC name

2-(345-trimethoxyphenyl)-13-thiazolidine

SMILES

COc1cc(C2SCCN2)cc(OC)c1OC

InChI

InChI=1S/C12H17NO3S/c1-14-9-6-8(12-13-4-5-17-12)7-10(15-2)11(9)16-3/h6-7,12-13H,4-5H2,1-3H3/t12-/m0/s1

InChI Key

LEXJBFNIDDJHIK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02047889

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

255.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

1.065

Water Solubility, LogSw

-1.88

Polar Surface Area

34.752

Acid Dissociation Constant (pKa)

26.86

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

2989-0086 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2989-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2989-0086?
Check Price and Availability of 2989-0086, 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 2989-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2989-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2989-0086
  • 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 2989-0086 available by request