4358-3187 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-4-(4-chlorophenoxy)butanamide

4358-3187 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-4-(4-chlorophenoxy)butanamide
4358-3187 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-4-(4-chlorophenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3187
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-4-(4-chlorophenoxy)butanamide

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

4358-3187

Molecular Formula

C19H20ClN3O2 (C19 H20 ClN3 O2)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-4-(4-chlorophenoxy)butanamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-4-(4-chlorophenoxy)butanamide

SMILES

O=C(CCCOc(cc1)ccc1Cl)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C19H20ClN3O2/c20-14-7-9-15(10-8-14)25-13-3-6-19(24)21-12-11-18-22-16-4-1-2-5-17(16)23-18/h1-2,4-5,7-10H,3,6,11-13H2,(H,21,24)(H,22,23)

InChI Key

DOOVPZYZRWZTPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.65

Polar Surface Area

51.979

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4358-3187 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4358-3187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3187?
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What is the minimum amount of 4358-3187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3187
  • 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 4358-3187 available by request