2958-7342 Screening compound: 5-({3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

2958-7342 Screening compound: 5-({3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
2958-7342 Screening compound: 5-({3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7342
5-({3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-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

2958-7342

Molecular Formula

C21H19ClN2O7 (C21 H19 ClN2 O7)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1OCCOc(c(OC)cc(C=C(C(NC(N1)=O)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C21H19ClN2O7/c1-28-15-5-3-4-6-16(15)30-7-8-31-18-14(22)10-12(11-17(18)29-2)9-13-19(25)23-21(27)24-20(13)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,27)

InChI Key

LODNALOKXZIXBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.84

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-3.52

Polar Surface Area

92.728

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2958-7342 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2958-7342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7342?
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What is the minimum amount of 2958-7342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7342
  • 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 2958-7342 available by request