V009-5821 Screening compound: N-(3-propoxypropyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

V009-5821 Screening compound: N-(3-propoxypropyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide
V009-5821 Screening compound: N-(3-propoxypropyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5821
N-(3-propoxypropyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-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

V009-5821

Molecular Formula

C27H31F3N4O2 (C27 H31 F3 N4 O2)

Compound Name

N-(3-propoxypropyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

IUPAC name

N-(3-propoxypropyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

SMILES

CCCOCCCNC(c1cc(N(CC2)CCN2c2cccc(C(F)(F)F)c2)nc2ccccc12)=O

InChI

InChI=1S/C27H31F3N4O2/c1-2-16-36-17-6-11-31-26(35)23-19-25(32-24-10-4-3-9-22(23)24)34-14-12-33(13-15-34)21-8-5-7-20(18-21)27(28,29)30/h3-5,7-10,18-19H,2,6,11-17H2,1H3,(H,31,35)

InChI Key

KCJVNFOYUCFZSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953128

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.682

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.71

Polar Surface Area

47.543

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V009-5821 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V009-5821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5821?
Check Price and Availability of V009-5821, 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 V009-5821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5821
  • 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 V009-5821 available by request