6013-1757 Screening compound: 4-[(2E)-3-phenylprop-2-en-1-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

6013-1757 Screening compound: 4-[(2E)-3-phenylprop-2-en-1-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
6013-1757 Screening compound: 4-[(2E)-3-phenylprop-2-en-1-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6013-1757
4-[(2E)-3-phenylprop-2-en-1-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-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

6013-1757

Molecular Formula

C21H22F3N3O (C21 H22 F3 N3 O)

Compound Name

4-[(2E)-3-phenylprop-2-en-1-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-[(2E)-3-phenylprop-2-en-1-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C/C=C/c2ccccc2)CC1

InChI

InChI=1S/C21H22F3N3O/c22-21(23,24)18-9-4-10-19(16-18)25-20(28)27-14-12-26(13-15-27)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,25,28)

InChI Key

HARVFGYHTIRLQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01475636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.46

Polar Surface Area

29.226

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6013-1757 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 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 6013-1757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6013-1757?
Check Price and Availability of 6013-1757, 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 6013-1757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6013-1757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6013-1757
  • 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 6013-1757 available by request