3678-0264 Screening compound: (5E)-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

3678-0264 Screening compound: (5E)-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
3678-0264 Screening compound: (5E)-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3678-0264
(5E)-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-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

3678-0264

Molecular Formula

C20H24N2O6S2 (C20 H24 N2 O6 S2)

Compound Name

(5E)-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-4-one

SMILES

COc1cc(/C=C(\C(N2CCC(N3CCOCC3)=O)=O)/SC2=S)cc(OC)c1OC

InChI

InChI=1S/C20H24N2O6S2/c1-25-14-10-13(11-15(26-2)18(14)27-3)12-16-19(24)22(20(29)30-16)5-4-17(23)21-6-8-28-9-7-21/h10-12H,4-9H2,1-3H3

InChI Key

MEZDANVQBNYKOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.588

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-2.10

Polar Surface Area

63.700

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

3678-0264 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3678-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3678-0264?
Check Price and Availability of 3678-0264, 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 3678-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3678-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3678-0264
  • 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 3678-0264 available by request