8016-9944 Screening compound: 3-chloro-4-methyl-N-[2-(quinolin-8-yloxy)ethyl]benzamide

8016-9944 Screening compound: 3-chloro-4-methyl-N-[2-(quinolin-8-yloxy)ethyl]benzamide
8016-9944 Screening compound: 3-chloro-4-methyl-N-[2-(quinolin-8-yloxy)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9944
3-chloro-4-methyl-N-[2-(quinolin-8-yloxy)ethyl]benzamide

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

8016-9944

Molecular Formula

C19H17ClN2O2 (C19 H17 ClN2 O2)

Compound Name

3-chloro-4-methyl-N-[2-(quinolin-8-yloxy)ethyl]benzamide

IUPAC name

3-chloro-4-methyl-N-[2-(quinolin-8-yloxy)ethyl]benzamide

SMILES

Cc(ccc(C(NCCOc1cccc2cccnc12)=O)c1)c1Cl

InChI

InChI=1S/C19H17ClN2O2/c1-13-7-8-15(12-16(13)20)19(23)22-10-11-24-17-6-2-4-14-5-3-9-21-18(14)17/h2-9,12H,10-11H2,1H3,(H,22,23)

InChI Key

XNFPEBAFEVXULV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.57

Polar Surface Area

41.531

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8016-9944 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8016-9944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9944?
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What is the minimum amount of 8016-9944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9944
  • 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 8016-9944 available by request