3269-0178 Screening compound: (5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

3269-0178 Screening compound: (5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
3269-0178 Screening compound: (5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0178
(5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-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

3269-0178

Molecular Formula

C24H21N3O2S (C24 H21 N3 O2 S)

Compound Name

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

IUPAC name

(5E)-5-{[25-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1cc(/C=C(\C(NC(N2c3ccccc3)=S)=O)/C2=O)c(C)n1-c1ccc(C)cc1

InChI

InChI=1S/C24H21N3O2S/c1-15-9-11-20(12-10-15)26-16(2)13-18(17(26)3)14-21-22(28)25-24(30)27(23(21)29)19-7-5-4-6-8-19/h4-14H,1-3H3,(H,25,28,30)

InChI Key

CDCCCLRBBMZLPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-3.98

Polar Surface Area

42.893

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3269-0178 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3269-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0178?
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What is the minimum amount of 3269-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0178
  • 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 3269-0178 available by request