3448-4423 Screening compound: (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

3448-4423 Screening compound: (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
3448-4423 Screening compound: (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-4423
(5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(4-methylphenyl)-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

3448-4423

Molecular Formula

C18H14N2O3S (C18 H14 N2 O3 S)

Compound Name

(5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(4-methylphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/C=C/c2ccco2)=O)C1=S

InChI

InChI=1S/C18H14N2O3S/c1-12-7-9-13(10-8-12)20-17(22)15(16(21)19-18(20)24)6-2-4-14-5-3-11-23-14/h2-11H,1H3,(H,19,21,24)

InChI Key

CRWXIJZMYXMQLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02019106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

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

2.783

Distribution Coefficient, logD

1.336

Water Solubility, LogSw

-3.32

Polar Surface Area

47.977

Acid Dissociation Constant (pKa)

5.97

Base Dissociation Constant (pKb)

-9.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3448-4423 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-4423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4423?
Check Price and Availability of 3448-4423, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3448-4423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4423
  • 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 3448-4423 available by request