3453-0329 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

3453-0329 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
3453-0329 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0329
N-[3-(morpholin-4-yl)propyl]-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

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

3453-0329

Molecular Formula

C22H29N3O6S2 (C22 H29 N3 O6 S2)

Compound Name

N-[3-(morpholin-4-yl)propyl]-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-2-[(5E)-4-oxo-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-3-yl]acetamide

SMILES

COc1cc(/C=C(\C(N2CC(NCCCN3CCOCC3)=O)=O)/SC2=S)cc(OC)c1OC

InChI

InChI=1S/C22H29N3O6S2/c1-28-16-11-15(12-17(29-2)20(16)30-3)13-18-21(27)25(22(32)33-18)14-19(26)23-5-4-6-24-7-9-31-10-8-24/h11-13H,4-10,14H2,1-3H3,(H,23,26)

InChI Key

HIXGGUUAGAAGFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.178

Distribution Coefficient, logD

0.755

Water Solubility, LogSw

-2.13

Polar Surface Area

75.624

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3453-0329 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3453-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0329?
Check Price and Availability of 3453-0329, 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 3453-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0329
  • 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 3453-0329 available by request