5025-0067 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

5025-0067 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
5025-0067 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5025-0067
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(1,3-thiazol-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

5025-0067

Molecular Formula

C22H16N6O4S3 (C22 H16 N6 O4 S3)

Compound Name

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

IUPAC name

2-[(5-cyano-6-oxo-4-phenyl-16-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(13-thiazol-2-yl)sulfamoyl]phenyl}acetamide

SMILES

N#CC(C(N1)=O)=C(c2ccccc2)N=C1SCC(Nc(cc1)ccc1S(Nc1nccs1)(=O)=O)=O

InChI

InChI=1S/C22H16N6O4S3/c23-12-17-19(14-4-2-1-3-5-14)26-22(27-20(17)30)34-13-18(29)25-15-6-8-16(9-7-15)35(31,32)28-21-24-10-11-33-21/h1-11H,13H2,(H,24,28)(H,25,29)(H,26,27,30)

InChI Key

RYGCQQFJTNJEIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01973473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.410

Distribution Coefficient, logD

-1.143

Water Solubility, LogSw

-2.92

Polar Surface Area

125.716

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5025-0067 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5025-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5025-0067?
Check Price and Availability of 5025-0067, 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 5025-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5025-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5025-0067
  • 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 5025-0067 available by request