0558-0066 Screening compound: (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

0558-0066 Screening compound: (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
0558-0066 Screening compound: (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0558-0066
(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-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

0558-0066

Molecular Formula

C20H17BrN2O5 (C20 H17 BrN2 O5)

Compound Name

(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-13-diazinane-246-trione

SMILES

CCOc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c(cc(cc2)Br)c2OC)=O)C1=O

InChI

InChI=1S/C20H17BrN2O5/c1-3-28-15-7-5-14(6-8-15)23-19(25)16(18(24)22-20(23)26)11-12-10-13(21)4-9-17(12)27-2/h4-11H,3H2,1-2H3,(H,22,24,26)

InChI Key

VVEWNYKEGJYYCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.67

Polar Surface Area

68.145

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 0558-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0558-0066?
Check Price and Availability of 0558-0066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0558-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0558-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0558-0066
  • 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 0558-0066 available by request