8013-6208 Screening compound: 2-[(naphthalen-2-yloxy)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole

8013-6208 Screening compound: 2-[(naphthalen-2-yloxy)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole
8013-6208 Screening compound: 2-[(naphthalen-2-yloxy)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6208
2-[(naphthalen-2-yloxy)methyl]-1-(propan-2-yl)-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

8013-6208

Molecular Formula

C21H20N2O (C21 H20 N2 O)

Compound Name

2-[(naphthalen-2-yloxy)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole

IUPAC name

2-[(naphthalen-2-yloxy)methyl]-1-(propan-2-yl)-1H-13-benzodiazole

SMILES

CC(C)n1c(cccc2)c2nc1COc1cc2ccccc2cc1

InChI

InChI=1S/C21H20N2O/c1-15(2)23-20-10-6-5-9-19(20)22-21(23)14-24-18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3

InChI Key

VQWOQNJCIPHKDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02633890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-5.88

Polar Surface Area

19.446

Acid Dissociation Constant (pKa)

21.76

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8013-6208 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-6208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6208?
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What is the minimum amount of 8013-6208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6208
  • 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 8013-6208 available by request