4490-0929 Screening compound: (5E)-5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

4490-0929 Screening compound: (5E)-5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
4490-0929 Screening compound: (5E)-5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-0929
(5E)-5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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

4490-0929

Molecular Formula

C20H17ClN2O3S (C20 H17 ClN2 O3 S)

Compound Name

(5E)-5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(34-dimethylphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc(cc1)c(C)cc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(Cl)c2OC)=O)C1=S

InChI

InChI=1S/C20H17ClN2O3S/c1-11-4-6-14(8-12(11)2)23-19(25)15(18(24)22-20(23)27)9-13-5-7-17(26-3)16(21)10-13/h4-10H,1-3H3,(H,22,24,27)

InChI Key

CDOVPJMXCLCMMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02194235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.76

Polar Surface Area

47.859

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 4490-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-0929?
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What is the minimum amount of 4490-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-0929
  • 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 4490-0929 available by request