8017-5505 Screening compound: N-(3-methoxybenzyl)-N-[1-methyl-2-(piperidinomethyl)-1H-1,3-benzimidazol-5-yl]amine

8017-5505 Screening compound: N-(3-methoxybenzyl)-N-[1-methyl-2-(piperidinomethyl)-1H-1,3-benzimidazol-5-yl]amine
8017-5505 Screening compound: N-(3-methoxybenzyl)-N-[1-methyl-2-(piperidinomethyl)-1H-1,3-benzimidazol-5-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5505
N-(3-methoxybenzyl)-N-[1-methyl-2-(piperidinomethyl)-1H-1,3-benzimidazol-5-yl]amine

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

8017-5505

Molecular Formula

C22H28N4O (C22 H28 N4 O)

Compound Name

N-(3-methoxybenzyl)-N-[1-methyl-2-(piperidinomethyl)-1H-1,3-benzimidazol-5-yl]amine

IUPAC name

N-[(3-methoxyphenyl)methyl]-1-methyl-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazol-5-amine

SMILES

Cn1c(ccc(NCc2cccc(OC)c2)c2)c2nc1CN1CCCCC1

InChI

InChI=1S/C22H28N4O/c1-25-21-10-9-18(23-15-17-7-6-8-19(13-17)27-2)14-20(21)24-22(25)16-26-11-4-3-5-12-26/h6-10,13-14,23H,3-5,11-12,15-16H2,1-2H3

InChI Key

KGGVNNCKCNPQAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-3.75

Polar Surface Area

33.736

Acid Dissociation Constant (pKa)

20.24

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with 8017-5505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5505?
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What is the minimum amount of 8017-5505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5505
  • 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 8017-5505 available by request