3324-0487 Screening compound: 4-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoic acid

3324-0487 Screening compound: 4-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoic acid
3324-0487 Screening compound: 4-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3324-0487
4-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoic acid

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

3324-0487

Molecular Formula

C21H17BrN2O4S2 (C21 H17 BrN2 O4 S2)

Compound Name

4-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoic acid

IUPAC name

4-{4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanamido}benzoic acid

SMILES

OC(c(cc1)ccc1NC(CCCN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S)=O)=O

InChI

InChI=1S/C21H17BrN2O4S2/c22-15-4-1-3-13(11-15)12-17-19(26)24(21(29)30-17)10-2-5-18(25)23-16-8-6-14(7-9-16)20(27)28/h1,3-4,6-9,11-12H,2,5,10H2,(H,23,25)(H,27,28)

InChI Key

AGSCITYXEINWRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

1.833

Water Solubility, LogSw

-4.18

Polar Surface Area

67.978

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3324-0487 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3324-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3324-0487?
Check Price and Availability of 3324-0487, 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 3324-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3324-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3324-0487
  • 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 3324-0487 available by request