8019-3956 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(2-oxo-1,2,3,4-tetrahydro-7-quinolinyl)acetamide

8019-3956 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(2-oxo-1,2,3,4-tetrahydro-7-quinolinyl)acetamide
8019-3956 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(2-oxo-1,2,3,4-tetrahydro-7-quinolinyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3956
2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(2-oxo-1,2,3,4-tetrahydro-7-quinolinyl)acetamide

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

8019-3956

Molecular Formula

C24H21N5O3 (C24 H21 N5 O3)

Compound Name

2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(2-oxo-1,2,3,4-tetrahydro-7-quinolinyl)acetamide

IUPAC name

2-[2-(2H-123-benzotriazol-2-yl)-4-methylphenoxy]-N-(2-oxo-1234-tetrahydroquinolin-7-yl)acetamide

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OCC(Nc1cc(NC(CC2)=O)c2cc1)=O

InChI

InChI=1S/C24H21N5O3/c1-15-6-10-22(21(12-15)29-27-18-4-2-3-5-19(18)28-29)32-14-24(31)25-17-9-7-16-8-11-23(30)26-20(16)13-17/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,25,31)(H,26,30)

InChI Key

ZHPHSROSEZULJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.10

Polar Surface Area

79.256

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8019-3956 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-3956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3956?
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What is the minimum amount of 8019-3956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3956
  • 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 8019-3956 available by request