0638-0089 Screening compound: (5Z)-1-(4-chlorophenyl)-5-[(furan-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

0638-0089 Screening compound: (5Z)-1-(4-chlorophenyl)-5-[(furan-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
0638-0089 Screening compound: (5Z)-1-(4-chlorophenyl)-5-[(furan-2-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0638-0089
(5Z)-1-(4-chlorophenyl)-5-[(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

0638-0089

Molecular Formula

C15H9ClN2O4 (C15 H9 ClN2 O4)

Compound Name

(5Z)-1-(4-chlorophenyl)-5-[(furan-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-1-(4-chlorophenyl)-5-[(furan-2-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C/c2ccco2)NC1=O

InChI

InChI=1S/C15H9ClN2O4/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)21)8-11-2-1-7-22-11/h1-8H,(H,17,19,21)

InChI Key

YRQPZNIOFGTVBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.7

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

2.121

Distribution Coefficient, logD

1.808

Water Solubility, LogSw

-3.05

Polar Surface Area

61.139

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0638-0089 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Ion Channels Annotated Library (353 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0638-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0638-0089?
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What is the minimum amount of 0638-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0638-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0638-0089
  • 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 0638-0089 available by request