7840-3829 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide

7840-3829 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide
7840-3829 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3829
N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide

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

7840-3829

Molecular Formula

C22H19ClN4O2 (C22 H19 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1C(Nc1cc2nn(-c(cc3)cc(Cl)c3OC)nc2cc1)=O

InChI

InChI=1S/C22H19ClN4O2/c1-3-14-4-6-15(7-5-14)22(28)24-16-8-10-19-20(12-16)26-27(25-19)17-9-11-21(29-2)18(23)13-17/h4-13H,3H2,1-2H3,(H,24,28)

InChI Key

IQYRIIFOZAKTAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.571

Distribution Coefficient, logD

5.552

Water Solubility, LogSw

-6.05

Polar Surface Area

54.994

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

7840-3829 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7840-3829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3829?
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What is the minimum amount of 7840-3829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3829
  • 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 7840-3829 available by request