3679-1086 Screening compound: (5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

3679-1086 Screening compound: (5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
3679-1086 Screening compound: (5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3679-1086
(5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-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

3679-1086

Molecular Formula

C22H15FN2O3S (C22 H15 FN2 O3 S)

Compound Name

(5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2ccc(-c(cc3)ccc3F)o2)=O)C1=S

InChI

InChI=1S/C22H15FN2O3S/c1-13-2-8-16(9-3-13)25-21(27)18(20(26)24-22(25)29)12-17-10-11-19(28-17)14-4-6-15(23)7-5-14/h2-12H,1H3,(H,24,26,29)

InChI Key

AGFGXOMLKJFWSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

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

4.459

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.30

Polar Surface Area

47.798

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3679-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3679-1086?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3679-1086
  • 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 3679-1086 available by request