5454-0281 Screening compound: N-(4-{[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide

5454-0281 Screening compound: N-(4-{[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide
5454-0281 Screening compound: N-(4-{[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5454-0281
N-(4-{[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-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

5454-0281

Molecular Formula

C25H21ClN6O3S (C25 H21 ClN6 O3 S)

Compound Name

N-(4-{[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide

IUPAC name

N-(4-{[5-(4-chlorophenyl)-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1S(Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c3ccccc3)c2n1)(=O)=O)=O

InChI

InChI=1S/C25H21ClN6O3S/c1-16(33)27-20-11-13-21(14-12-20)36(34,35)31-24-29-25-28-22(17-7-9-19(26)10-8-17)15-23(32(25)30-24)18-5-3-2-4-6-18/h2-15,23H,1H3,(H,27,33)(H2,28,29,30,31)/t23-/m1/s1

InChI Key

PYTGJFVFVYKJMA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03299169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.635

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.95

Polar Surface Area

102.705

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

5454-0281 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • 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 5454-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5454-0281?
Check Price and Availability of 5454-0281, 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 5454-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5454-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5454-0281
  • 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 5454-0281 available by request