8018-5130 Screening compound: 2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-methoxy-1-methyl-1H-1,3-benzodiazole

8018-5130 Screening compound: 2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-methoxy-1-methyl-1H-1,3-benzodiazole
8018-5130 Screening compound: 2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-methoxy-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5130
2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-methoxy-1-methyl-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

8018-5130

Molecular Formula

C20H23FN4O (C20 H23 FN4 O)

Compound Name

2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-methoxy-1-methyl-1H-1,3-benzodiazole

IUPAC name

2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-methoxy-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(ccc(OC)c2)c2nc1CN(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C20H23FN4O/c1-23-19-8-7-17(26-2)13-18(19)22-20(23)14-24-9-11-25(12-10-24)16-5-3-15(21)4-6-16/h3-8,13H,9-12,14H2,1-2H3

InChI Key

XKIDFHSDVUUNMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-3.17

Polar Surface Area

26.762

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8018-5130 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5130?
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What is the minimum amount of 8018-5130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5130
  • 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 8018-5130 available by request