D413-0352 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

D413-0352 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide
D413-0352 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0352
N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-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

D413-0352

Molecular Formula

C24H20ClN5O2S (C24 H20 ClN5 O2 S)

Compound Name

N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H20ClN5O2S/c1-16-7-13-20(14-8-16)33(31,32)29-23-27-24-26-21(17-9-11-19(25)12-10-17)15-22(30(24)28-23)18-5-3-2-4-6-18/h2-15,22H,1H3,(H2,26,27,28,29)/t22-/m1/s1

InChI Key

REXZAPNPZUTPGJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03290735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.857

Distribution Coefficient, logD

4.615

Water Solubility, LogSw

-6.30

Polar Surface Area

79.443

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

D413-0352 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D413-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0352?
Check Price and Availability of D413-0352, 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 D413-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0352
  • 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 D413-0352 available by request