F070-0686 Screening compound: methyl 2-{1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-amido}benzoate

F070-0686 Screening compound: methyl 2-{1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-amido}benzoate
F070-0686 Screening compound: methyl 2-{1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F070-0686
methyl 2-{1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-amido}benzoate

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

F070-0686

Molecular Formula

C23H21F3N4O3 (C23 H21 F3 N4 O3)

Compound Name

methyl 2-{1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-amido}benzoate

IUPAC name

methyl 2-{1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-amido}benzoate

SMILES

COC(c(cccc1)c1NC(C(CCC1)CN1c1nc2ccccc2nc1C(F)(F)F)=O)=O

InChI

InChI=1S/C23H21F3N4O3/c1-33-22(32)15-8-2-3-9-16(15)29-21(31)14-7-6-12-30(13-14)20-19(23(24,25)26)27-17-10-4-5-11-18(17)28-20/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,29,31)/t14-/m0/s1

InChI Key

BJHZIRRXAYOQPF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27098604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.29

Polar Surface Area

64.828

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

F070-0686 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F070-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F070-0686?
Check Price and Availability of F070-0686, 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 F070-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F070-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F070-0686
  • 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 F070-0686 available by request