2958-7390 Screening compound: (5Z)-5-({3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

2958-7390 Screening compound: (5Z)-5-({3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
2958-7390 Screening compound: (5Z)-5-({3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7390
(5Z)-5-({3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1-(3-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

2958-7390

Molecular Formula

C28H25ClN2O6 (C28 H25 ClN2 O6)

Compound Name

(5Z)-5-({3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1-(3-methylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1OCCOc(c(OC)cc(/C=C(/C(NC(N1c2cc(C)ccc2)=O)=O)\C1=O)c1)c1Cl

InChI

InChI=1S/C28H25ClN2O6/c1-17-7-9-21(10-8-17)36-11-12-37-25-23(29)15-19(16-24(25)35-3)14-22-26(32)30-28(34)31(27(22)33)20-6-4-5-18(2)13-20/h4-10,13-16H,11-12H2,1-3H3,(H,30,32,34)

InChI Key

UIHCSKIXJYISHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.262

Water Solubility, LogSw

-6.01

Polar Surface Area

75.758

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

2958-7390 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2958-7390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7390?
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What is the minimum amount of 2958-7390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7390
  • 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 2958-7390 available by request