3679-2143 Screening compound: 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

3679-2143 Screening compound: 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
3679-2143 Screening compound: 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3679-2143
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-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

3679-2143

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-[(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-13-dimethyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1cc(C=C(C(N(C)C(N2C)=S)=O)C2=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C19H19N3O2S/c1-12-10-14(13(2)22(12)15-8-6-5-7-9-15)11-16-17(23)20(3)19(25)21(4)18(16)24/h5-11H,1-4H3

InChI Key

YUWRULSSEHDKOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.785

Distribution Coefficient, logD

1.785

Water Solubility, LogSw

-2.33

Polar Surface Area

34.483

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3679-2143 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3679-2143 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-2143
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  • 1–2 days for small orders
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Delivery formats for 3679-2143
  • 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 3679-2143 available by request