4490-1084 Screening compound: (5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

4490-1084 Screening compound: (5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
4490-1084 Screening compound: (5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1084
(5E)-5-[(5-bromofuran-2-yl)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

4490-1084

Molecular Formula

C17H13BrN2O5 (C17 H13 BrN2 O5)

Compound Name

(5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-ethoxyphenyl)-13-diazinane-246-trione

SMILES

CCOc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(o2)ccc2Br)=O)C1=O

InChI

InChI=1S/C17H13BrN2O5/c1-2-24-11-5-3-10(4-6-11)20-16(22)13(15(21)19-17(20)23)9-12-7-8-14(18)25-12/h3-9H,2H2,1H3,(H,19,21,23)

InChI Key

KBVLTKIEHZLPNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-3.32

Polar Surface Area

68.611

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 4490-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1084?
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What is the minimum amount of 4490-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1084
  • 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 4490-1084 available by request