4490-1039 Screening compound: 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

4490-1039 Screening compound: 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
4490-1039 Screening compound: 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1039
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-dimethyl-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

4490-1039

Molecular Formula

C14H14N2O5 (C14 H14 N2 O5)

Compound Name

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

IUPAC name

5-[(3-hydroxy-4-methoxyphenyl)methylidene]-13-dimethyl-13-diazinane-246-trione

SMILES

CN(C(C(C(N1C)=O)=Cc(cc2)cc(O)c2OC)=O)C1=O

InChI

InChI=1S/C14H14N2O5/c1-15-12(18)9(13(19)16(2)14(15)20)6-8-4-5-11(21-3)10(17)7-8/h4-7,17H,1-3H3

InChI Key

LOQRBAJQIMOADY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02105528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.085

Distribution Coefficient, logD

1.081

Water Solubility, LogSw

-1.92

Polar Surface Area

69.304

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

4490-1039 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4490-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1039?
Check Price and Availability of 4490-1039, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4490-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1039
  • 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 4490-1039 available by request