4490-1038 Screening compound: 1,3-dimethyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

4490-1038 Screening compound: 1,3-dimethyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
4490-1038 Screening compound: 1,3-dimethyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1038
1,3-dimethyl-5-[(2-methylphenyl)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

4490-1038

Molecular Formula

C14H14N2O3 (C14 H14 N2 O3)

Compound Name

1,3-dimethyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

13-dimethyl-5-[(2-methylphenyl)methylidene]-13-diazinane-246-trione

SMILES

Cc1c(C=C(C(N(C)C(N2C)=O)=O)C2=O)cccc1

InChI

InChI=1S/C14H14N2O3/c1-9-6-4-5-7-10(9)8-11-12(17)15(2)14(19)16(3)13(11)18/h4-8H,1-3H3

InChI Key

WUXHTMYBCAORAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

2.023

Water Solubility, LogSw

-2.10

Polar Surface Area

45.126

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4490-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1038?
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What is the minimum amount of 4490-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1038
  • 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 4490-1038 available by request