1015-0027 Screening compound: (5E)-5-[(2-methoxyphenyl)methylidene]-3-{[(3-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione

1015-0027 Screening compound: (5E)-5-[(2-methoxyphenyl)methylidene]-3-{[(3-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione
1015-0027 Screening compound: (5E)-5-[(2-methoxyphenyl)methylidene]-3-{[(3-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1015-0027
(5E)-5-[(2-methoxyphenyl)methylidene]-3-{[(3-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione

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

1015-0027

Molecular Formula

C19H18N2O3S (C19 H18 N2 O3 S)

Compound Name

(5E)-5-[(2-methoxyphenyl)methylidene]-3-{[(3-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-[(2-methoxyphenyl)methylidene]-3-{[(3-methylphenyl)amino]methyl}-13-thiazolidine-24-dione

SMILES

Cc1cccc(NCN(C(/C(/S2)=C\c(cccc3)c3OC)=O)C2=O)c1

InChI

InChI=1S/C19H18N2O3S/c1-13-6-5-8-15(10-13)20-12-21-18(22)17(25-19(21)23)11-14-7-3-4-9-16(14)24-2/h3-11,20H,12H2,1-2H3

InChI Key

DQYLLXCVOJROOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.39

Polar Surface Area

48.386

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1015-0027 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1015-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1015-0027?
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What is the minimum amount of 1015-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1015-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1015-0027
  • 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 1015-0027 available by request