2896-1437 Screening compound: 1,3-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione

2896-1437 Screening compound: 1,3-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione
2896-1437 Screening compound: 1,3-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2896-1437
1,3-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-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

2896-1437

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

1,3-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione

IUPAC name

13-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1Sc1ccc(C=C(C(N(C)C(N2C)=O)=O)C2=O)o1

InChI

InChI=1S/C18H16N2O4S/c1-11-4-7-13(8-5-11)25-15-9-6-12(24-15)10-14-16(21)19(2)18(23)20(3)17(14)22/h4-10H,1-3H3

InChI Key

NDJRZTNJJDDWHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-3.95

Polar Surface Area

52.916

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2896-1437 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2896-1437 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2896-1437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2896-1437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2896-1437
  • 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 2896-1437 available by request