4489-9429 Screening compound: (5E)-1-(4-bromophenyl)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

4489-9429 Screening compound: (5E)-1-(4-bromophenyl)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
4489-9429 Screening compound: (5E)-1-(4-bromophenyl)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-9429
(5E)-1-(4-bromophenyl)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-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

4489-9429

Molecular Formula

C18H13BrN2O5 (C18 H13 BrN2 O5)

Compound Name

(5E)-1-(4-bromophenyl)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(4-bromophenyl)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-13-diazinane-246-trione

SMILES

COc1cccc(/C=C(\C(NC(N2c(cc3)ccc3Br)=O)=O)/C2=O)c1O

InChI

InChI=1S/C18H13BrN2O5/c1-26-14-4-2-3-10(15(14)22)9-13-16(23)20-18(25)21(17(13)24)12-7-5-11(19)6-8-12/h2-9,22H,1H3,(H,20,23,25)

InChI Key

JQGUSWVVXRMHND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02378873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.49

Polar Surface Area

76.500

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 4489-9429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-9429?
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What is the minimum amount of 4489-9429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-9429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-9429
  • 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 4489-9429 available by request