8018-8249 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(quinolin-3-yl)acetamide

8018-8249 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(quinolin-3-yl)acetamide
8018-8249 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(quinolin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8249
2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(quinolin-3-yl)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

8018-8249

Molecular Formula

C24H19N5O2 (C24 H19 N5 O2)

Compound Name

2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-(quinolin-3-yl)acetamide

IUPAC name

2-[2-(2H-123-benzotriazol-2-yl)-4-methylphenoxy]-N-(quinolin-3-yl)acetamide

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OCC(Nc1cc2ccccc2nc1)=O

InChI

InChI=1S/C24H19N5O2/c1-16-10-11-23(22(12-16)29-27-20-8-4-5-9-21(20)28-29)31-15-24(30)26-18-13-17-6-2-3-7-19(17)25-14-18/h2-14H,15H2,1H3,(H,26,30)

InChI Key

AICVKOWOCZCOND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.070

Water Solubility, LogSw

-5.22

Polar Surface Area

63.288

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8018-8249 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-8249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8249?
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What is the minimum amount of 8018-8249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8249
  • 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 8018-8249 available by request