D413-0397 Screening compound: N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

D413-0397 Screening compound: N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide
D413-0397 Screening compound: N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-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 D413-0397
N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-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

D413-0397

Molecular Formula

C25H22ClN5O2S (C25 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C1=CC(c(cccc2)c2Cl)n2nc(NS(c3ccc(C)cc3)(=O)=O)nc2N1

InChI

InChI=1S/C25H22ClN5O2S/c1-16-7-11-18(12-8-16)22-15-23(20-5-3-4-6-21(20)26)31-25(27-22)28-24(29-31)30-34(32,33)19-13-9-17(2)10-14-19/h3-15,23H,1-2H3,(H2,27,28,29,30)/t23-/m0/s1

InChI Key

QWPSCIZLZZVNBW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04127378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

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

6.221

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-6.24

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

12.00

D413-0397 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D413-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0397?
Check Price and Availability of D413-0397, 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 D413-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0397
  • 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 D413-0397 available by request