8016-7050 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

8016-7050 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
8016-7050 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7050
N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

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

8016-7050

Molecular Formula

C19H21N3O2 (C19 H21 N3 O2)

Compound Name

N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

SMILES

COc1ccc(CCC(NCCc2nc(cccc3)c3[nH]2)=O)cc1

InChI

InChI=1S/C19H21N3O2/c1-24-15-9-6-14(7-10-15)8-11-19(23)20-13-12-18-21-16-4-2-3-5-17(16)22-18/h2-7,9-10H,8,11-13H2,1H3,(H,20,23)(H,21,22)

InChI Key

FJOBOAJYTQNVDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

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

2.732

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.07

Polar Surface Area

52.105

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with 8016-7050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7050?
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What is the minimum amount of 8016-7050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7050
  • 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 8016-7050 available by request