3329-3751 Screening compound: 2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

3329-3751 Screening compound: 2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
3329-3751 Screening compound: 2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3751
2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-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

3329-3751

Molecular Formula

C16H17ClN2OS (C16 H17 ClN2 OS)

Compound Name

2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1456-tetrahydropyridine-3-carbonitrile

SMILES

CCCCSC(NC(CC1c(cccc2)c2Cl)=O)=C1C#N

InChI

InChI=1S/C16H17ClN2OS/c1-2-3-8-21-16-13(10-18)12(9-15(20)19-16)11-6-4-5-7-14(11)17/h4-7,12H,2-3,8-9H2,1H3,(H,19,20)/t12-/m0/s1

InChI Key

BZDKJFNHBQHIBF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02232554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.22

Polar Surface Area

41.187

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 3329-3751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3751?
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What is the minimum amount of 3329-3751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3751
  • 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 3329-3751 available by request