4299-0406 Screening compound: (5Z)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

4299-0406 Screening compound: (5Z)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
4299-0406 Screening compound: (5Z)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0406
(5Z)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dimethylphenyl)-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

4299-0406

Molecular Formula

C20H15BrN2O5 (C20 H15 BrN2 O5)

Compound Name

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

IUPAC name

(5Z)-5-[(6-bromo-2H-13-benzodioxol-5-yl)methylidene]-1-(35-dimethylphenyl)-13-diazinane-246-trione

SMILES

Cc1cc(N(C(/C(/C(N2)=O)=C\c(cc3OCOc3c3)c3Br)=O)C2=O)cc(C)c1

InChI

InChI=1S/C20H15BrN2O5/c1-10-3-11(2)5-13(4-10)23-19(25)14(18(24)22-20(23)26)6-12-7-16-17(8-15(12)21)28-9-27-16/h3-8H,9H2,1-2H3,(H,22,24,26)

InChI Key

XRIHBIVNTBDFKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.25

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

3.686

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-3.89

Polar Surface Area

70.506

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4299-0406 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4299-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0406?
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What is the minimum amount of 4299-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0406
  • 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 4299-0406 available by request