8006-4773 Screening compound: 5-{[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

8006-4773 Screening compound: 5-{[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
8006-4773 Screening compound: 5-{[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4773
5-{[5-(2,3-dichlorophenyl)furan-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

8006-4773

Molecular Formula

C15H8Cl2N2O4 (C15 H8 Cl2 N2 O4)

Compound Name

5-{[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[5-(23-dichlorophenyl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

O=C(C(C(N1)=O)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC1=O

InChI

InChI=1S/C15H8Cl2N2O4/c16-10-3-1-2-8(12(10)17)11-5-4-7(23-11)6-9-13(20)18-15(22)19-14(9)21/h1-6H,(H2,18,19,20,21,22)

InChI Key

BCZLPMSPYWJEHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00301295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.14

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-4.09

Polar Surface Area

70.213

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-4773 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-4773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4773?
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What is the minimum amount of 8006-4773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4773
  • 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 8006-4773 available by request