8013-6069 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole

8013-6069 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole
8013-6069 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6069
1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-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

8013-6069

Molecular Formula

C21H17FN2O (C21 H17 FN2 O)

Compound Name

1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole

IUPAC name

1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1H-13-benzodiazole

SMILES

COc(cc1)ccc1-c1nc(cccc2)c2n1Cc(cc1)ccc1F

InChI

InChI=1S/C21H17FN2O/c1-25-18-12-8-16(9-13-18)21-23-19-4-2-3-5-20(19)24(21)14-15-6-10-17(22)11-7-15/h2-13H,14H2,1H3

InChI Key

OLZLQFKUNOLZIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

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

5.463

Distribution Coefficient, logD

5.462

Water Solubility, LogSw

-5.61

Polar Surface Area

17.439

Acid Dissociation Constant (pKa)

21.14

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8013-6069 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8013-6069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6069?
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What is the minimum amount of 8013-6069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6069
  • 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 8013-6069 available by request