3541-0548 Screening compound: 2-hydroxy-N-{4-oxo-5-[(3Z)-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide

3541-0548 Screening compound: 2-hydroxy-N-{4-oxo-5-[(3Z)-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
3541-0548 Screening compound: 2-hydroxy-N-{4-oxo-5-[(3Z)-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3541-0548
2-hydroxy-N-{4-oxo-5-[(3Z)-2-oxo-1-propyl-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

3541-0548

Molecular Formula

C21H17N3O4S2 (C21 H17 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(c(cccc1)c1/C1=C(\C(N2NC(c(cccc3)c3O)=O)=O)/SC2=S)C1=O

InChI

InChI=1S/C21H17N3O4S2/c1-2-11-23-14-9-5-3-7-12(14)16(19(23)27)17-20(28)24(21(29)30-17)22-18(26)13-8-4-6-10-15(13)25/h3-10,25H,2,11H2,1H3,(H,22,26)

InChI Key

FUSKMSYVDLDUGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01951682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

2.612

Water Solubility, LogSw

-3.42

Polar Surface Area

75.110

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3541-0548 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3541-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-0548?
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What is the minimum amount of 3541-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-0548
  • 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 3541-0548 available by request