5121-0501 Screening compound: 2-amino-4-(4-hydroxyphenyl)-6-[(2-oxocyclohexyl)sulfanyl]pyridine-3,5-dicarbonitrile

5121-0501 Screening compound: 2-amino-4-(4-hydroxyphenyl)-6-[(2-oxocyclohexyl)sulfanyl]pyridine-3,5-dicarbonitrile
5121-0501 Screening compound: 2-amino-4-(4-hydroxyphenyl)-6-[(2-oxocyclohexyl)sulfanyl]pyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5121-0501
2-amino-4-(4-hydroxyphenyl)-6-[(2-oxocyclohexyl)sulfanyl]pyridine-3,5-dicarbonitrile

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

5121-0501

Molecular Formula

C19H16N4O2S (C19 H16 N4 O2 S)

Compound Name

2-amino-4-(4-hydroxyphenyl)-6-[(2-oxocyclohexyl)sulfanyl]pyridine-3,5-dicarbonitrile

IUPAC name

2-amino-4-(4-hydroxyphenyl)-6-[(2-oxocyclohexyl)sulfanyl]pyridine-35-dicarbonitrile

SMILES

Nc(nc(c(C#N)c1-c(cc2)ccc2O)SC(CCCC2)C2=O)c1C#N

InChI

InChI=1S/C19H16N4O2S/c20-9-13-17(11-5-7-12(24)8-6-11)14(10-21)19(23-18(13)22)26-16-4-2-1-3-15(16)25/h5-8,16,24H,1-4H2,(H2,22,23)/t16-/m0/s1

InChI Key

QSKVKJBPWZNONT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03058748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.904

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.23

Polar Surface Area

94.309

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

5121-0501 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Glucocorticoid receptors Library (4806 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5121-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5121-0501?
Check Price and Availability of 5121-0501, 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 5121-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5121-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5121-0501
  • 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 5121-0501 available by request