2468-3687 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide

2468-3687 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
2468-3687 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2468-3687
N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxy-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

2468-3687

Molecular Formula

C22H18ClN5O5 (C22 H18 ClN5 O5)

Compound Name

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

IUPAC name

N-[2-(3-chloro-4-methoxyphenyl)-2H-123-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide

SMILES

CCOc(ccc(C(Nc1cc2nn(-c(cc3)cc(Cl)c3OC)nc2cc1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H18ClN5O5/c1-3-33-21-8-4-13(10-19(21)28(30)31)22(29)24-14-5-7-17-18(11-14)26-27(25-17)15-6-9-20(32-2)16(23)12-15/h4-12H,3H2,1-2H3,(H,24,29)

InChI Key

TUHCAHXCEVWUGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.602

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.87

Polar Surface Area

95.285

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

2468-3687 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2468-3687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2468-3687?
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What is the minimum amount of 2468-3687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2468-3687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2468-3687
  • 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 2468-3687 available by request