2468-3728 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide

2468-3728 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
2468-3728 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2468-3728
N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide

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

2468-3728

Molecular Formula

C22H15ClN4O3 (C22 H15 ClN4 O3)

Compound Name

N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(3-chloro-4-methoxyphenyl)-2H-123-benzotriazol-5-yl]-1-benzofuran-2-carboxamide

SMILES

COc(ccc(-n1nc(cc(cc2)NC(c3cc(cccc4)c4o3)=O)c2n1)c1)c1Cl

InChI

InChI=1S/C22H15ClN4O3/c1-29-20-9-7-15(12-16(20)23)27-25-17-8-6-14(11-18(17)26-27)24-22(28)21-10-13-4-2-3-5-19(13)30-21/h2-12H,1H3,(H,24,28)

InChI Key

GKXRLOHSWFITHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.595

Distribution Coefficient, logD

5.587

Water Solubility, LogSw

-6.12

Polar Surface Area

63.287

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2468-3728 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2468-3728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2468-3728?
Check Price and Availability of 2468-3728, 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 2468-3728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2468-3728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2468-3728
  • 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 2468-3728 available by request