4490-0980 Screening compound: (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

4490-0980 Screening compound: (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
4490-0980 Screening compound: (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-0980
(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1-(4-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

4490-0980

Molecular Formula

C21H19ClN2O5 (C21 H19 ClN2 O5)

Compound Name

(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

CCOc(c(OC)cc(/C=C(\C(NC(N1c2ccc(C)cc2)=O)=O)/C1=O)c1)c1Cl

InChI

InChI=1S/C21H19ClN2O5/c1-4-29-18-16(22)10-13(11-17(18)28-3)9-15-19(25)23-21(27)24(20(15)26)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H,23,25,27)

InChI Key

JBIQBDXZGCTYIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-4.42

Polar Surface Area

68.318

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4490-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-0980?
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What is the minimum amount of 4490-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-0980
  • 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 4490-0980 available by request