1889-4075 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(propan-2-yl)phenoxy]acetamide

1889-4075 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(propan-2-yl)phenoxy]acetamide
1889-4075 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-4075
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(propan-2-yl)phenoxy]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

1889-4075

Molecular Formula

C20H23N3O2 (C20 H23 N3 O2)

Compound Name

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

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-[4-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(cc1)ccc1OCC(NCCc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C20H23N3O2/c1-14(2)15-7-9-16(10-8-15)25-13-20(24)21-12-11-19-22-17-5-3-4-6-18(17)23-19/h3-10,14H,11-13H2,1-2H3,(H,21,24)(H,22,23)

InChI Key

OZMRBLVIPWNCKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01033962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.68

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

30.00

1889-4075 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 1889-4075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-4075?
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What is the minimum amount of 1889-4075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-4075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-4075
  • 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 1889-4075 available by request