8001-1191 Screening compound: 2-(hexadecylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile

8001-1191 Screening compound: 2-(hexadecylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
8001-1191 Screening compound: 2-(hexadecylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1191
2-(hexadecylsulfanyl)-4,6-diphenylpyridine-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

8001-1191

Molecular Formula

C34H44N2S (C34 H44 N2 S)

Compound Name

2-(hexadecylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile

IUPAC name

2-(hexadecylsulfanyl)-46-diphenylpyridine-3-carbonitrile

SMILES

CCCCCCCCCCCCCCCCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N

InChI

InChI=1S/C34H44N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-37-34-32(28-35)31(29-22-17-15-18-23-29)27-33(36-34)30-24-19-16-20-25-30/h15-20,22-25,27H,2-14,21,26H2,1H3

InChI Key

SRHLZZNVBARSFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

13.196

Distribution Coefficient, logD

13.196

Water Solubility, LogSw

-6.17

Polar Surface Area

25.499

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

8001-1191 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8001-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1191?
Check Price and Availability of 8001-1191, 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 8001-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1191
  • 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 8001-1191 available by request