2958-7345 Screening compound: 5-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

2958-7345 Screening compound: 5-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
2958-7345 Screening compound: 5-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7345
5-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)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

2958-7345

Molecular Formula

C24H25BrN2O6 (C24 H25 BrN2 O6)

Compound Name

5-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)methylidene]-13-diazinane-246-trione

SMILES

CCC(C)c(cc1)ccc1OCCOc(c(OC)cc(C=C(C(NC(N1)=O)=O)C1=O)c1)c1Br

InChI

InChI=1S/C24H25BrN2O6/c1-4-14(2)16-5-7-17(8-6-16)32-9-10-33-21-19(25)12-15(13-20(21)31-3)11-18-22(28)26-24(30)27-23(18)29/h5-8,11-14H,4,9-10H2,1-3H3,(H2,26,27,28,29,30)/t14-/m0/s1

InChI Key

OIYQRLDPAOQGGV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01873488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.43

Polar Surface Area

85.011

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

2958-7345 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 2958-7345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7345?
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What is the minimum amount of 2958-7345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7345
  • 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 2958-7345 available by request