2885-0005 Screening compound: 6-(2,4-dimethylphenyl)-4-phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile

2885-0005 Screening compound: 6-(2,4-dimethylphenyl)-4-phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
2885-0005 Screening compound: 6-(2,4-dimethylphenyl)-4-phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2885-0005
6-(2,4-dimethylphenyl)-4-phenyl-2-sulfanylidene-1,2-dihydropyridine-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

2885-0005

Molecular Formula

C20H16N2S (C20 H16 N2 S)

Compound Name

6-(2,4-dimethylphenyl)-4-phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile

IUPAC name

6-(24-dimethylphenyl)-4-phenyl-2-sulfanylidene-12-dihydropyridine-3-carbonitrile

SMILES

Cc(cc1)cc(C)c1C(NC1=S)=CC(c2ccccc2)=C1C#N

InChI

InChI=1S/C20H16N2S/c1-13-8-9-16(14(2)10-13)19-11-17(15-6-4-3-5-7-15)18(12-21)20(23)22-19/h3-11H,1-2H3,(H,22,23)

InChI Key

YKBIIPHSJQOJHK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-5.19

Polar Surface Area

28.904

Acid Dissociation Constant (pKa)

4.14

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 2885-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2885-0005?
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What is the minimum amount of 2885-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2885-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2885-0005
  • 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 2885-0005 available by request