3448-1890 Screening compound: (5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione

3448-1890 Screening compound: (5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
3448-1890 Screening compound: (5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-1890
(5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-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

3448-1890

Molecular Formula

C20H18N2O7 (C20 H18 N2 O7)

Compound Name

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

IUPAC name

(5E)-5-[(4-hydroxy-35-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-13-diazinane-246-trione

SMILES

COc1cccc(N(C(/C(/C(N2)=O)=C/c(cc3OC)cc(OC)c3O)=O)C2=O)c1

InChI

InChI=1S/C20H18N2O7/c1-27-13-6-4-5-12(10-13)22-19(25)14(18(24)21-20(22)26)7-11-8-15(28-2)17(23)16(9-11)29-3/h4-10,23H,1-3H3,(H,21,24,26)

InChI Key

MNZLBHNRJDGKIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

1.429

Water Solubility, LogSw

-2.10

Polar Surface Area

91.674

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3448-1890 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3448-1890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-1890?
Check Price and Availability of 3448-1890, 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 3448-1890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-1890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-1890
  • 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 3448-1890 available by request