4491-2007 Screening compound: N-(3-hydroxyphenyl)-3-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanamide

4491-2007 Screening compound: N-(3-hydroxyphenyl)-3-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanamide
4491-2007 Screening compound: N-(3-hydroxyphenyl)-3-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-2007
N-(3-hydroxyphenyl)-3-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]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

4491-2007

Molecular Formula

C22H22N2O6S2 (C22 H22 N2 O6 S2)

Compound Name

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

IUPAC name

N-(3-hydroxyphenyl)-3-[(5Z)-4-oxo-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-3-yl]propanamide

SMILES

COc1cc(/C=C(/C(N2CCC(Nc3cc(O)ccc3)=O)=O)\SC2=S)cc(OC)c1OC

InChI

InChI=1S/C22H22N2O6S2/c1-28-16-9-13(10-17(29-2)20(16)30-3)11-18-21(27)24(22(31)32-18)8-7-19(26)23-14-5-4-6-15(25)12-14/h4-6,9-12,25H,7-8H2,1-3H3,(H,23,26)

InChI Key

YRLNIQLYMVFDDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02575765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.977

Water Solubility, LogSw

-3.17

Polar Surface Area

80.165

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4491-2007 in Drug Discovery

Included in Screening Libraries

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 4491-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-2007?
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What is the minimum amount of 4491-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-2007
  • 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 4491-2007 available by request