2958-7477 Screening compound: 5-{[5-bromo-2-(2-phenoxyethoxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

2958-7477 Screening compound: 5-{[5-bromo-2-(2-phenoxyethoxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
2958-7477 Screening compound: 5-{[5-bromo-2-(2-phenoxyethoxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7477
5-{[5-bromo-2-(2-phenoxyethoxy)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

2958-7477

Molecular Formula

C21H19BrN2O5 (C21 H19 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(C(N1C)=O)=Cc(cc(cc2)Br)c2OCCOc2ccccc2)=O)C1=O

InChI

InChI=1S/C21H19BrN2O5/c1-23-19(25)17(20(26)24(2)21(23)27)13-14-12-15(22)8-9-18(14)29-11-10-28-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3

InChI Key

PUPMSMNHJFXAST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.3

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

4.099

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.26

Polar Surface Area

59.776

Acid Dissociation Constant (pKa)

30.07

Base Dissociation Constant (pKb)

-7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 2958-7477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7477?
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What is the minimum amount of 2958-7477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7477
  • 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 2958-7477 available by request