G349-0825 Screening compound: 3-(2-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine

G349-0825 Screening compound: 3-(2-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine
G349-0825 Screening compound: 3-(2-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G349-0825
3-(2-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine

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

G349-0825

Molecular Formula

C21H22F2N4O (C21 H22 F2 N4 O)

Compound Name

3-(2-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine

IUPAC name

3-(2-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-124-oxadiazol-5-amine

SMILES

Fc1c(CN2CCC(CNc3nc(-c(cccc4)c4F)no3)CC2)cccc1

InChI

InChI=1S/C21H22F2N4O/c22-18-7-3-1-5-16(18)14-27-11-9-15(10-12-27)13-24-21-25-20(26-28-21)17-6-2-4-8-19(17)23/h1-8,15H,9-14H2,(H,24,25,26)

InChI Key

NSYFQVCPLDJGNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15000342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.510

Distribution Coefficient, logD

2.761

Water Solubility, LogSw

-4.48

Polar Surface Area

47.196

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G349-0825 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G349-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G349-0825?
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What is the minimum amount of G349-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G349-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G349-0825
  • 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 G349-0825 available by request