2958-7476 Screening compound: 5-({5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

2958-7476 Screening compound: 5-({5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
2958-7476 Screening compound: 5-({5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7476
5-({5-bromo-2-[2-(4-methylphenoxy)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

2958-7476

Molecular Formula

C22H21BrN2O5 (C22 H21 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCCOc(cc1)c(C=C(C(N(C)C(N2C)=O)=O)C2=O)cc1Br

InChI

InChI=1S/C22H21BrN2O5/c1-14-4-7-17(8-5-14)29-10-11-30-19-9-6-16(23)12-15(19)13-18-20(26)24(2)22(28)25(3)21(18)27/h4-9,12-13H,10-11H2,1-3H3

InChI Key

JLHYEKYOQRHRBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.551

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.41

Polar Surface Area

59.776

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 2958-7476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7476?
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What is the minimum amount of 2958-7476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7476
  • 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 2958-7476 available by request