D413-0339 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide

D413-0339 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide
D413-0339 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0339
N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide

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

D413-0339

Molecular Formula

C24H17ClN6O3 (C24 H17 ClN6 O3)

Compound Name

N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide

IUPAC name

N-[5-(4-chlorophenyl)-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-3-nitrobenzamide

SMILES

[O-][N+](c1cccc(C(Nc2nn(C(C=C(c(cc3)ccc3Cl)N3)c4ccccc4)c3n2)=O)c1)=O

InChI

InChI=1S/C24H17ClN6O3/c25-18-11-9-15(10-12-18)20-14-21(16-5-2-1-3-6-16)30-24(26-20)28-23(29-30)27-22(32)17-7-4-8-19(13-17)31(33)34/h1-14,21H,(H2,26,27,28,29,32)/t21-/m1/s1

InChI Key

HWHBVHVSEBRBNC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03299932

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

472.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.593

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-6.21

Polar Surface Area

95.266

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.20

D413-0339 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)

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
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D413-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0339?
Check Price and Availability of D413-0339, 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 D413-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0339
  • 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 D413-0339 available by request