P160-0054 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide

P160-0054 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
P160-0054 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P160-0054
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide

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

P160-0054

Molecular Formula

C23H19N7O4S3 (C23 H19 N7 O4 S3)

Compound Name

2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide

IUPAC name

2-[(5-cyano-6-oxo-4-phenyl-16-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(5-ethyl-134-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide

SMILES

CCc1nnc(NS(c(cc2)ccc2NC(CSC(NC2=O)=NC(c3ccccc3)=C2C#N)=O)(=O)=O)s1

InChI

InChI=1S/C23H19N7O4S3/c1-2-19-28-29-23(36-19)30-37(33,34)16-10-8-15(9-11-16)25-18(31)13-35-22-26-20(14-6-4-3-5-7-14)17(12-24)21(32)27-22/h3-11H,2,13H2,1H3,(H,25,31)(H,29,30)(H,26,27,32)

InChI Key

WCPRYFJFPLYMOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01973475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

-0.738

Water Solubility, LogSw

-3.50

Polar Surface Area

139.278

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P160-0054 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P160-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P160-0054?
Check Price and Availability of P160-0054, 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 P160-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P160-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P160-0054
  • 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 P160-0054 available by request