2958-7419 Screening compound: 5-({3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

2958-7419 Screening compound: 5-({3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
2958-7419 Screening compound: 5-({3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7419
5-({3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-dimethyl-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

2958-7419

Molecular Formula

C23H23ClN2O7 (C23 H23 ClN2 O7)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(C(N1C)=O)=Cc(cc2OC)cc(Cl)c2OCCOc(cccc2)c2OC)=O)C1=O

InChI

InChI=1S/C23H23ClN2O7/c1-25-21(27)15(22(28)26(2)23(25)29)11-14-12-16(24)20(19(13-14)31-4)33-10-9-32-18-8-6-5-7-17(18)30-3/h5-8,11-13H,9-10H2,1-4H3

InChI Key

XGZKTWHADDFKHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

3.451

Water Solubility, LogSw

-3.84

Polar Surface Area

75.210

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

-7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 2958-7419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7419?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7419
  • 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 2958-7419 available by request