4490-1049 Screening compound: (5E)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

4490-1049 Screening compound: (5E)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
4490-1049 Screening compound: (5E)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1049
(5E)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1-(3-methylphenyl)-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

4490-1049

Molecular Formula

C22H20N2O5 (C22 H20 N2 O5)

Compound Name

(5E)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-1-(3-methylphenyl)-13-diazinane-246-trione

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C/c(cc3CC=C)cc(OC)c3O)=O)C2=O)c1

InChI

InChI=1S/C22H20N2O5/c1-4-6-15-10-14(12-18(29-3)19(15)25)11-17-20(26)23-22(28)24(21(17)27)16-8-5-7-13(2)9-16/h4-5,7-12,25H,1,6H2,2-3H3,(H,23,26,28)

InChI Key

RICGIMCCIGFNBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02379088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.23

Polar Surface Area

76.500

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4490-1049 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 4490-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1049?
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What is the minimum amount of 4490-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1049
  • 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 4490-1049 available by request