FF01-3106 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane

FF01-3106 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane
FF01-3106 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound FF01-3106
1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane

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

FF01-3106

Molecular Formula

C14H17ClN4O (C14 H17 ClN4 O)

Compound Name

1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane

IUPAC name

1-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-14-diazepane

SMILES

Clc(cc1)ccc1-c1noc(CN2CCNCCC2)n1

InChI

InChI=1S/C14H17ClN4O/c15-12-4-2-11(3-5-12)14-17-13(20-18-14)10-19-8-1-6-16-7-9-19/h2-5,16H,1,6-10H2

InChI Key

QLTAEWIZIRHZKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12570191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.205

Distribution Coefficient, logD

0.682

Water Solubility, LogSw

-3.31

Polar Surface Area

47.606

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

FF01-3106 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with FF01-3106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF01-3106?
Check Price and Availability of FF01-3106, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of FF01-3106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF01-3106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF01-3106
  • 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 FF01-3106 available by request