4296-0028 Screening compound: 4-(5-methylfuran-2-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

4296-0028 Screening compound: 4-(5-methylfuran-2-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
4296-0028 Screening compound: 4-(5-methylfuran-2-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0028
4-(5-methylfuran-2-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

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

4296-0028

Molecular Formula

C14H16N2O2S (C14 H16 N2 O2 S)

Compound Name

4-(5-methylfuran-2-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

4-(5-methylfuran-2-yl)-6-oxo-2-(propylsulfanyl)-1456-tetrahydropyridine-3-carbonitrile

SMILES

CCCSC(NC(CC1c2ccc(C)o2)=O)=C1C#N

InChI

InChI=1S/C14H16N2O2S/c1-3-6-19-14-11(8-15)10(7-13(17)16-14)12-5-4-9(2)18-12/h4-5,10H,3,6-7H2,1-2H3,(H,16,17)/t10-/m0/s1

InChI Key

ZFWVCJMUSXAGRT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01464566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-2.99

Polar Surface Area

49.280

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-8.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 4296-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0028?
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What is the minimum amount of 4296-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0028
  • 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 4296-0028 available by request