8013-6067 Screening compound: 2-benzyl-1-(2-methoxyethyl)-1H-1,3-benzodiazole

8013-6067 Screening compound: 2-benzyl-1-(2-methoxyethyl)-1H-1,3-benzodiazole
8013-6067 Screening compound: 2-benzyl-1-(2-methoxyethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6067
2-benzyl-1-(2-methoxyethyl)-1H-1,3-benzodiazole

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

8013-6067

Molecular Formula

C17H18N2O (C17 H18 N2 O)

Compound Name

2-benzyl-1-(2-methoxyethyl)-1H-1,3-benzodiazole

IUPAC name

2-benzyl-1-(2-methoxyethyl)-1H-13-benzodiazole

SMILES

COCCn1c(cccc2)c2nc1Cc1ccccc1

InChI

InChI=1S/C17H18N2O/c1-20-12-11-19-16-10-6-5-9-15(16)18-17(19)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3

InChI Key

DDWRKEIQSBCRKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-3.45

Polar Surface Area

19.464

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8013-6067 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-6067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6067?
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What is the minimum amount of 8013-6067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6067
  • 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 8013-6067 available by request