D676-3339 Screening compound: N-[2-methyl-3-(trifluoromethyl)phenyl]-1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide

D676-3339 Screening compound: N-[2-methyl-3-(trifluoromethyl)phenyl]-1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide
D676-3339 Screening compound: N-[2-methyl-3-(trifluoromethyl)phenyl]-1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-3339
N-[2-methyl-3-(trifluoromethyl)phenyl]-1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-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

D676-3339

Molecular Formula

C24H25F3N4O2 (C24 H25 F3 N4 O2)

Compound Name

N-[2-methyl-3-(trifluoromethyl)phenyl]-1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide

IUPAC name

N-[2-methyl-3-(trifluoromethyl)phenyl]-1-{[5-(3-methylphenyl)-124-oxadiazol-3-yl]methyl}piperidine-4-carboxamide

SMILES

Cc1cccc(-c2nc(CN(CC3)CCC3C(Nc3cccc(C(F)(F)F)c3C)=O)no2)c1

InChI

InChI=1S/C24H25F3N4O2/c1-15-5-3-6-18(13-15)23-29-21(30-33-23)14-31-11-9-17(10-12-31)22(32)28-20-8-4-7-19(16(20)2)24(25,26)27/h3-8,13,17H,9-12,14H2,1-2H3,(H,28,32)

InChI Key

UVLNIOGDIINNND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.26

Polar Surface Area

59.032

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D676-3339 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D676-3339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-3339?
Check Price and Availability of D676-3339, 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 D676-3339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-3339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-3339
  • 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 D676-3339 available by request