4552-4632 Screening compound: 2,6-bis(2-methoxyphenyl)thian-4-one

4552-4632 Screening compound: 2,6-bis(2-methoxyphenyl)thian-4-one
4552-4632 Screening compound: 2,6-bis(2-methoxyphenyl)thian-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-4632
2,6-bis(2-methoxyphenyl)thian-4-one

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

4552-4632

Molecular Formula

C19H20O3S (C19 H20 O3 S)

Compound Name

2,6-bis(2-methoxyphenyl)thian-4-one

IUPAC name

26-bis(2-methoxyphenyl)thian-4-one

SMILES

COc1c(C(CC(C2)=O)SC2c(cccc2)c2OC)cccc1

InChI

InChI=1S/C19H20O3S/c1-21-16-9-5-3-7-14(16)18-11-13(20)12-19(23-18)15-8-4-6-10-17(15)22-2/h3-10,18-19H,11-12H2,1-2H3

InChI Key

CCKUEZLYUSXWIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02723617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.47

Polar Surface Area

28.498

Acid Dissociation Constant (pKa)

19.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.58

4552-4632 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4552-4632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-4632?
Check Price and Availability of 4552-4632, 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 4552-4632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-4632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-4632
  • 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 4552-4632 available by request