3924-0014 Screening compound: 4-hydroxy-3-methoxy-N-{4-oxo-5-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide

3924-0014 Screening compound: 4-hydroxy-3-methoxy-N-{4-oxo-5-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
3924-0014 Screening compound: 4-hydroxy-3-methoxy-N-{4-oxo-5-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3924-0014
4-hydroxy-3-methoxy-N-{4-oxo-5-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide

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

3924-0014

Molecular Formula

C19H13N3O5S2 (C19 H13 N3 O5 S2)

Compound Name

4-hydroxy-3-methoxy-N-{4-oxo-5-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide

IUPAC name

4-hydroxy-3-methoxy-N-{4-oxo-5-[(3E)-2-oxo-23-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-13-thiazolidin-3-yl}benzamide

SMILES

COc(cc(cc1)C(NN(C(/C(/S2)=C(/c(cccc3)c3N3)\C3=O)=O)C2=S)=O)c1O

InChI

InChI=1S/C19H13N3O5S2/c1-27-13-8-9(6-7-12(13)23)16(24)21-22-18(26)15(29-19(22)28)14-10-4-2-3-5-11(10)20-17(14)25/h2-8,23H,1H3,(H,20,25)(H,21,24)

InChI Key

VTZBKVYVWQEIAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.490

Distribution Coefficient, logD

1.437

Water Solubility, LogSw

-2.52

Polar Surface Area

92.266

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

3924-0014 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3924-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3924-0014?
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What is the minimum amount of 3924-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3924-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3924-0014
  • 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 3924-0014 available by request