4715-0117 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

4715-0117 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
4715-0117 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4715-0117
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-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

4715-0117

Molecular Formula

C25H21N7O4S2 (C25 H21 N7 O4 S2)

Compound Name

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

IUPAC name

2-[(5-cyano-6-oxo-4-phenyl-16-dihydropyrimidin-2-yl)sulfanyl]-N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

SMILES

Cc1nc(NS(c(cc2)ccc2NC(CSC(NC2=O)=NC(c3ccccc3)=C2C#N)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C25H21N7O4S2/c1-15-12-16(2)28-24(27-15)32-38(35,36)19-10-8-18(9-11-19)29-21(33)14-37-25-30-22(17-6-4-3-5-7-17)20(13-26)23(34)31-25/h3-12H,14H2,1-2H3,(H,29,33)(H,27,28,32)(H,30,31,34)

InChI Key

IUJPONXESIYPRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03175730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

-1.315

Water Solubility, LogSw

-3.00

Polar Surface Area

134.556

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4715-0117 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4715-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4715-0117?
Check Price and Availability of 4715-0117, 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 4715-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4715-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4715-0117
  • 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 4715-0117 available by request