5820-2245 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

5820-2245 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide
5820-2245 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5820-2245
N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

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

5820-2245

Molecular Formula

C23H21ClN4O3 (C23 H21 ClN4 O3)

Compound Name

N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

IUPAC name

N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc1cc2nn(-c(cc3)cc(Cl)c3OC)nc2cc1C)=O

InChI

InChI=1S/C23H21ClN4O3/c1-4-31-17-8-5-15(6-9-17)23(29)25-19-13-21-20(11-14(19)2)26-28(27-21)16-7-10-22(30-3)18(24)12-16/h5-13H,4H2,1-3H3,(H,25,29)

InChI Key

FKZKXDHTPKLBJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03573965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.891

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-5.05

Polar Surface Area

61.420

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

5820-2245 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5820-2245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5820-2245?
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What is the minimum amount of 5820-2245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5820-2245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5820-2245
  • 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 5820-2245 available by request