3057-1196 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-methoxybenzamide

3057-1196 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-methoxybenzamide
3057-1196 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-1196
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-methoxybenzamide

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

3057-1196

Molecular Formula

C17H17N3O2 (C17 H17 N3 O2)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-methoxybenzamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-3-methoxybenzamide

SMILES

COc1cccc(C(NCCc2nc(cccc3)c3[nH]2)=O)c1

InChI

InChI=1S/C17H17N3O2/c1-22-13-6-4-5-12(11-13)17(21)18-10-9-16-19-14-7-2-3-8-15(14)20-16/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,20)

InChI Key

HAFBPQILQUFGIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

2.560

Water Solubility, LogSw

-2.93

Polar Surface Area

52.319

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 3057-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-1196?
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What is the minimum amount of 3057-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-1196
  • 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 3057-1196 available by request