8013-6077 Screening compound: 1-(3-phenoxypropyl)-1H-1,3-benzodiazole

8013-6077 Screening compound: 1-(3-phenoxypropyl)-1H-1,3-benzodiazole
8013-6077 Screening compound: 1-(3-phenoxypropyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6077
1-(3-phenoxypropyl)-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

8013-6077

Molecular Formula

C16H16N2O (C16 H16 N2 O)

Compound Name

1-(3-phenoxypropyl)-1H-1,3-benzodiazole

IUPAC name

1-(3-phenoxypropyl)-1H-13-benzodiazole

SMILES

C(Cn1c(cccc2)c2nc1)COc1ccccc1

InChI

InChI=1S/C16H16N2O/c1-2-7-14(8-3-1)19-12-6-11-18-13-17-15-9-4-5-10-16(15)18/h1-5,7-10,13H,6,11-12H2

InChI Key

SEZLNVHHXVVOLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

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

3.342

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.28

Polar Surface Area

17.819

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8013-6077 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-6077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6077?
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What is the minimum amount of 8013-6077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6077
  • 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 8013-6077 available by request