D413-0083 Screening compound: 4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzene-1-sulfonamide

D413-0083 Screening compound: 4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzene-1-sulfonamide
D413-0083 Screening compound: 4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0083
4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzene-1-sulfonamide

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

D413-0083

Molecular Formula

C24H20ClN5O3S (C24 H20 ClN5 O3 S)

Compound Name

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

IUPAC name

4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]benzene-1-sulfonamide

SMILES

COc1ccc(C2n3nc(NS(c(cc4)ccc4Cl)(=O)=O)nc3NC(c3ccccc3)=C2)cc1

InChI

InChI=1S/C24H20ClN5O3S/c1-33-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)26-24-27-23(28-30(22)24)29-34(31,32)20-13-9-18(25)10-14-20/h2-15,22H,1H3,(H2,26,27,28,29)/t22-/m0/s1

InChI Key

AWIFWNKBUAKUJT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03689372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

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

5.307

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-6.26

Polar Surface Area

86.987

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

D413-0083 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D413-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0083?
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What is the minimum amount of D413-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0083
  • 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 D413-0083 available by request