0655-0250 Screening compound: benzyl 2-{[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate

0655-0250 Screening compound: benzyl 2-{[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate
0655-0250 Screening compound: benzyl 2-{[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0655-0250
benzyl 2-{[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate

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

0655-0250

Molecular Formula

C22H16N4O3S (C22 H16 N4 O3 S)

Compound Name

benzyl 2-{[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate

IUPAC name

benzyl 2-{[6-amino-35-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate

SMILES

Nc(nc(c(C#N)c1-c(cc2)ccc2O)SCC(OCc2ccccc2)=O)c1C#N

InChI

InChI=1S/C22H16N4O3S/c23-10-17-20(15-6-8-16(27)9-7-15)18(11-24)22(26-21(17)25)30-13-19(28)29-12-14-4-2-1-3-5-14/h1-9,27H,12-13H2,(H2,25,26)

InChI Key

YRFBDPFKURPMJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-4.23

Polar Surface Area

101.403

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0655-0250 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Antibacterial Compounds Library (13827 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
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0655-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0655-0250?
Check Price and Availability of 0655-0250, 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 0655-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0655-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0655-0250
  • 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 0655-0250 available by request