4241-3126 Screening compound: (5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione

4241-3126 Screening compound: (5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
4241-3126 Screening compound: (5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4241-3126
(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-1-[(furan-2-yl)methyl]-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

4241-3126

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-1-[(furan-2-yl)methyl]-13-diazinane-246-trione

SMILES

CN(C)c1ccc(/C=C(/C(NC(N2Cc3ccco3)=O)=O)\C2=O)cc1

InChI

InChI=1S/C18H17N3O4/c1-20(2)13-7-5-12(6-8-13)10-15-16(22)19-18(24)21(17(15)23)11-14-4-3-9-25-14/h3-10H,11H2,1-2H3,(H,19,22,24)

InChI Key

VULLEXVJTFLALE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02195983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-2.77

Polar Surface Area

64.556

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4241-3126 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4241-3126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4241-3126?
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What is the minimum amount of 4241-3126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4241-3126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4241-3126
  • 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 4241-3126 available by request