2277-0009 Screening compound: (5E)-5-[(5-methylfuran-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

2277-0009 Screening compound: (5E)-5-[(5-methylfuran-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
2277-0009 Screening compound: (5E)-5-[(5-methylfuran-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2277-0009
(5E)-5-[(5-methylfuran-2-yl)methylidene]-1-phenyl-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

2277-0009

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

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

IUPAC name

(5E)-5-[(5-methylfuran-2-yl)methylidene]-1-phenyl-13-diazinane-246-trione

SMILES

Cc1ccc(/C=C(\C(NC(N2c3ccccc3)=O)=O)/C2=O)o1

InChI

InChI=1S/C16H12N2O4/c1-10-7-8-12(22-10)9-13-14(19)17-16(21)18(15(13)20)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19,21)

InChI Key

DAIAJSOQDQWBAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01806319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-2.43

Polar Surface Area

60.654

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 2277-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2277-0009?
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What is the minimum amount of 2277-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2277-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2277-0009
  • 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 2277-0009 available by request