C301-3005 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C301-3005 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
C301-3005 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3005
N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

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

C301-3005

Molecular Formula

C24H27ClFN5O2 (C24 H27 ClFN5 O2)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-134-oxadiazole-2-carboxamide

SMILES

O=C(c1nnc(Cc(c(F)ccc2)c2Cl)o1)NCCCN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C24H27ClFN5O2/c25-20-8-4-9-21(26)19(20)16-22-28-29-24(33-22)23(32)27-10-5-11-30-12-14-31(15-13-30)17-18-6-2-1-3-7-18/h1-4,6-9H,5,10-17H2,(H,27,32)

InChI Key

NWDJQSVYLFYKEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

1.906

Water Solubility, LogSw

-3.49

Polar Surface Area

62.198

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C301-3005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-3005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3005?
Check Price and Availability of C301-3005, 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 C301-3005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3005
  • 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 C301-3005 available by request