3269-0467 Screening compound: (5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

3269-0467 Screening compound: (5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
3269-0467 Screening compound: (5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0467
(5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-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

3269-0467

Molecular Formula

C19H13BrN2O5 (C19 H13 BrN2 O5)

Compound Name

(5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-[(6-bromo-2H-13-benzodioxol-5-yl)methylidene]-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2OCOc2c2)c2Br)=O)C1=O

InChI

InChI=1S/C19H13BrN2O5/c1-10-2-4-12(5-3-10)22-18(24)13(17(23)21-19(22)25)6-11-7-15-16(8-14(11)20)27-9-26-15/h2-8H,9H2,1H3,(H,21,23,25)

InChI Key

GLOLRLNXJLOBOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01788474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

2.083

Water Solubility, LogSw

-3.24

Polar Surface Area

70.506

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 3269-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0467?
Check Price and Availability of 3269-0467, 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 3269-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0467
  • 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 3269-0467 available by request