8018-7139 Screening compound: 2-chloro-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide

8018-7139 Screening compound: 2-chloro-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide
8018-7139 Screening compound: 2-chloro-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7139
2-chloro-N-[(4-methoxynaphthalen-1-yl)methyl]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

8018-7139

Molecular Formula

C14H14ClNO2 (C14 H14 ClNO2)

Compound Name

2-chloro-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide

IUPAC name

2-chloro-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide

SMILES

COc1ccc(CNC(CCl)=O)c2ccccc12

InChI

InChI=1S/C14H14ClNO2/c1-18-13-7-6-10(9-16-14(17)8-15)11-4-2-3-5-12(11)13/h2-7H,8-9H2,1H3,(H,16,17)

InChI Key

ADKCQNJXVQRLKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.934

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.11

Polar Surface Area

32.069

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8018-7139 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-7139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7139?
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What is the minimum amount of 8018-7139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7139
  • 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 8018-7139 available by request