4243-1090 Screening compound: (5Z)-1-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

4243-1090 Screening compound: (5Z)-1-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
4243-1090 Screening compound: (5Z)-1-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4243-1090
(5Z)-1-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylidene]-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

4243-1090

Molecular Formula

C18H12Cl2N2O2S (C18 H12 Cl2 N2 O2 S)

Compound Name

(5Z)-1-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5Z)-1-(23-dichlorophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1ccc(/C=C(/C(NC(N2c3cccc(Cl)c3Cl)=S)=O)\C2=O)cc1

InChI

InChI=1S/C18H12Cl2N2O2S/c1-10-5-7-11(8-6-10)9-12-16(23)21-18(25)22(17(12)24)14-4-2-3-13(19)15(14)20/h2-9H,1H3,(H,21,23,25)

InChI Key

DYOYEHWFTUFVOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-4.59

Polar Surface Area

39.927

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

-11.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4243-1090 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4243-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4243-1090?
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What is the minimum amount of 4243-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4243-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4243-1090
  • 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 4243-1090 available by request