2368-0513 Screening compound: (5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

2368-0513 Screening compound: (5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
2368-0513 Screening compound: (5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0513
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

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

2368-0513

Molecular Formula

C19H15ClN2O5 (C19 H15 ClN2 O5)

Compound Name

(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2OC)cc(Cl)c2O)=O)C1=O

InChI

InChI=1S/C19H15ClN2O5/c1-10-3-5-12(6-4-10)22-18(25)13(17(24)21-19(22)26)7-11-8-14(20)16(23)15(9-11)27-2/h3-9,23H,1-2H3,(H,21,24,26)

InChI Key

PJYLRQZQSXKTMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-3.47

Polar Surface Area

76.500

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2368-0513 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2368-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0513?
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What is the minimum amount of 2368-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0513
  • 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 2368-0513 available by request