3793-4480 Screening compound: 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide

3793-4480 Screening compound: 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide
3793-4480 Screening compound: 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-4480
3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide

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

3793-4480

Molecular Formula

C19H15BrN2O3S2 (C19 H15 BrN2 O3 S2)

Compound Name

3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide

IUPAC name

3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide

SMILES

Oc(cc1)ccc1NC(CCN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S)=O

InChI

InChI=1S/C19H15BrN2O3S2/c20-13-3-1-2-12(10-13)11-16-18(25)22(19(26)27-16)9-8-17(24)21-14-4-6-15(23)7-5-14/h1-7,10-11,23H,8-9H2,(H,21,24)

InChI Key

FYIQJEKPGRFOCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.014

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.15

Polar Surface Area

57.187

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3793-4480 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3793-4480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-4480?
Check Price and Availability of 3793-4480, 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 3793-4480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-4480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-4480
  • 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 3793-4480 available by request