1682-6064 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide

1682-6064 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
1682-6064 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-6064
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(4-chloro-3-methylphenoxy)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

1682-6064

Molecular Formula

C18H18ClN3O2 (C18 H18 ClN3 O2)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide

SMILES

Cc(cc(cc1)OCC(NCCc2nc(cccc3)c3[nH]2)=O)c1Cl

InChI

InChI=1S/C18H18ClN3O2/c1-12-10-13(6-7-14(12)19)24-11-18(23)20-9-8-17-21-15-4-2-3-5-16(15)22-17/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,22)

InChI Key

BYGXVIJNJANLCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.73

Polar Surface Area

52.061

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1682-6064 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Frequent Hitters Library (7624 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 1682-6064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6064?
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What is the minimum amount of 1682-6064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6064
  • 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 1682-6064 available by request