C301-4098 Screening compound: 1-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine

C301-4098 Screening compound: 1-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine
C301-4098 Screening compound: 1-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4098
1-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

C301-4098

Molecular Formula

C20H18ClF3N4O (C20 H18 ClF3 N4 O)

Compound Name

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

IUPAC name

1-{[5-(3-chlorophenyl)-134-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

FC(c1cccc(N2CCN(Cc3nnc(-c4cccc(Cl)c4)o3)CC2)c1)(F)F

InChI

InChI=1S/C20H18ClF3N4O/c21-16-5-1-3-14(11-16)19-26-25-18(29-19)13-27-7-9-28(10-8-27)17-6-2-4-15(12-17)20(22,23)24/h1-6,11-12H,7-10,13H2

InChI Key

NJLZWIXTVDRYDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743435

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.55

Polar Surface Area

37.413

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C301-4098 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C301-4098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4098?
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What is the minimum amount of C301-4098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4098
  • 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 C301-4098 available by request