3448-4435 Screening compound: (5E)-1-methyl-5-[(5-nitrofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

3448-4435 Screening compound: (5E)-1-methyl-5-[(5-nitrofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
3448-4435 Screening compound: (5E)-1-methyl-5-[(5-nitrofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-4435
(5E)-1-methyl-5-[(5-nitrofuran-2-yl)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

3448-4435

Molecular Formula

C10H7N3O6 (C10 H7 N3 O6)

Compound Name

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

IUPAC name

(5E)-1-methyl-5-[(5-nitrofuran-2-yl)methylidene]-13-diazinane-246-trione

SMILES

CN(C(/C(/C(N1)=O)=C/c2ccc([N+]([O-])=O)o2)=O)C1=O

InChI

InChI=1S/C10H7N3O6/c1-12-9(15)6(8(14)11-10(12)16)4-5-2-3-7(19-5)13(17)18/h2-4H,1H3,(H,11,14,16)

InChI Key

JDXMQMFUMIPHFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01827918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.18

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.412

Distribution Coefficient, logD

0.217

Water Solubility, LogSw

-2.12

Polar Surface Area

95.870

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

-7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3448-4435 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3448-4435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4435?
Check Price and Availability of 3448-4435, 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 3448-4435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4435
  • 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 3448-4435 available by request