8013-3559 Screening compound: 3-[1-(2-naphthylmethyl)-1H-1,3-benzimidazol-2-yl]-1-propanol

8013-3559 Screening compound: 3-[1-(2-naphthylmethyl)-1H-1,3-benzimidazol-2-yl]-1-propanol
8013-3559 Screening compound: 3-[1-(2-naphthylmethyl)-1H-1,3-benzimidazol-2-yl]-1-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3559
3-[1-(2-naphthylmethyl)-1H-1,3-benzimidazol-2-yl]-1-propanol

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

8013-3559

Molecular Formula

C21H20N2O (C21 H20 N2 O)

Compound Name

3-[1-(2-naphthylmethyl)-1H-1,3-benzimidazol-2-yl]-1-propanol

IUPAC name

3-{1-[(naphthalen-2-yl)methyl]-1H-13-benzodiazol-2-yl}propan-1-ol

SMILES

OCCCc1nc(cccc2)c2n1Cc1cc2ccccc2cc1

InChI

InChI=1S/C21H20N2O/c24-13-5-10-21-22-19-8-3-4-9-20(19)23(21)15-16-11-12-17-6-1-2-7-18(17)14-16/h1-4,6-9,11-12,14,24H,5,10,13,15H2

InChI Key

WAENBANSQHKRPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02128570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.34

Polar Surface Area

27.527

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

8013-3559 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8013-3559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3559?
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What is the minimum amount of 8013-3559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3559
  • 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 8013-3559 available by request