V011-8772 Screening compound: N-{1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-4-(trifluoromethyl)benzamide

V011-8772 Screening compound: N-{1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-4-(trifluoromethyl)benzamide
V011-8772 Screening compound: N-{1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8772
N-{1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-4-(trifluoromethyl)benzamide

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

V011-8772

Molecular Formula

C26H31F3N4O2 (C26 H31 F3 N4 O2)

Compound Name

N-{1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-4-(trifluoromethyl)benzamide

IUPAC name

N-{1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-4-(trifluoromethyl)benzamide

SMILES

CCN(CC1)CCN1C(c(cccc1)c1N(CC1)CCC1NC(c1ccc(C(F)(F)F)cc1)=O)=O

InChI

InChI=1S/C26H31F3N4O2/c1-2-31-15-17-33(18-16-31)25(35)22-5-3-4-6-23(22)32-13-11-21(12-14-32)30-24(34)19-7-9-20(10-8-19)26(27,28)29/h3-10,21H,2,11-18H2,1H3,(H,30,34)

InChI Key

PMTAZGUSORNCQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19894174

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.328

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.83

Polar Surface Area

47.522

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

V011-8772 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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 V011-8772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8772?
Check Price and Availability of V011-8772, 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 V011-8772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8772
  • 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 V011-8772 available by request