2958-7349 Screening compound: 5-({3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

2958-7349 Screening compound: 5-({3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
2958-7349 Screening compound: 5-({3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7349
5-({3-bromo-5-ethoxy-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

2958-7349

Molecular Formula

C22H21BrN2O7 (C22 H21 BrN2 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C=C(C(NC(N2)=O)=O)C2=O)cc(Br)c1OCCOc(cccc1)c1OC

InChI

InChI=1S/C22H21BrN2O7/c1-3-30-18-12-13(10-14-20(26)24-22(28)25-21(14)27)11-15(23)19(18)32-9-8-31-17-7-5-4-6-16(17)29-2/h4-7,10-12H,3,8-9H2,1-2H3,(H2,24,25,26,27,28)

InChI Key

XXCFDLULFMKFBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-3.30

Polar Surface Area

92.308

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

2958-7349 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 2958-7349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7349?
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What is the minimum amount of 2958-7349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7349
  • 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 2958-7349 available by request