5025-0070 Screening compound: 2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

5025-0070 Screening compound: 2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
5025-0070 Screening compound: 2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-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 5025-0070
2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-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

5025-0070

Molecular Formula

C26H23N7O5S2 (C26 H23 N7 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(NS(c(cc2)ccc2NC(CSC(NC2=O)=NC(c(cc3)ccc3OC)=C2C#N)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C26H23N7O5S2/c1-15-12-16(2)29-25(28-15)33-40(36,37)20-10-6-18(7-11-20)30-22(34)14-39-26-31-23(21(13-27)24(35)32-26)17-4-8-19(38-3)9-5-17/h4-12H,14H2,1-3H3,(H,30,34)(H,28,29,33)(H,31,32,35)

InChI Key

YJIMAYZROSDRGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03197199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.64

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

-1.228

Water Solubility, LogSw

-3.00

Polar Surface Area

142.099

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 5025-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5025-0070?
Check Price and Availability of 5025-0070, 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 5025-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5025-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5025-0070
  • 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 5025-0070 available by request