D413-0081 Screening compound: N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide

D413-0081 Screening compound: N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
D413-0081 Screening compound: N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0081
N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide

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

D413-0081

Molecular Formula

C24H21N5O3S (C24 H21 N5 O3 S)

Compound Name

N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide

IUPAC name

N-[7-(4-methoxyphenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]benzenesulfonamide

SMILES

COc1ccc(C2n3nc(NS(c4ccccc4)(=O)=O)nc3NC(c3ccccc3)=C2)cc1

InChI

InChI=1S/C24H21N5O3S/c1-32-19-14-12-18(13-15-19)22-16-21(17-8-4-2-5-9-17)25-24-26-23(27-29(22)24)28-33(30,31)20-10-6-3-7-11-20/h2-16,22H,1H3,(H2,25,26,27,28)/t22-/m0/s1

InChI Key

GJMTYDRZQGJODP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03686398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.527

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-4.32

Polar Surface Area

86.987

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

D413-0081 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D413-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0081?
Check Price and Availability of D413-0081, 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 D413-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0081
  • 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 D413-0081 available by request