4299-0693 Screening compound: (5Z)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

4299-0693 Screening compound: (5Z)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
4299-0693 Screening compound: (5Z)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-phenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0693
(5Z)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-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

4299-0693

Molecular Formula

C21H19N3O3 (C21 H19 N3 O3)

Compound Name

(5Z)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-phenyl-13-diazinane-246-trione

SMILES

CN(C)c1ccc(/C=C/C=C(/C(NC(N2c3ccccc3)=O)=O)\C2=O)cc1

InChI

InChI=1S/C21H19N3O3/c1-23(2)16-13-11-15(12-14-16)7-6-10-18-19(25)22-21(27)24(20(18)26)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,22,25,27)

InChI Key

WSBFTODMEZTVBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-3.46

Polar Surface Area

56.195

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4299-0693 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with 4299-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0693?
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What is the minimum amount of 4299-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0693
  • 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 4299-0693 available by request