F070-0745 Screening compound: N-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

F070-0745 Screening compound: N-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
F070-0745 Screening compound: N-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F070-0745
N-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-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

F070-0745

Molecular Formula

C21H17F5N4O (C21 H17 F5 N4 O)

Compound Name

N-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

IUPAC name

N-(25-difluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nc2ccccc2nc1C(F)(F)F)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C21H17F5N4O/c22-13-7-8-14(23)17(10-13)29-20(31)12-4-3-9-30(11-12)19-18(21(24,25)26)27-15-5-1-2-6-16(15)28-19/h1-2,5-8,10,12H,3-4,9,11H2,(H,29,31)/t12-/m0/s1

InChI Key

ZPQWRHIZXWQLJB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27098616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.688

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.61

Polar Surface Area

43.654

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

F070-0745 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 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:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F070-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F070-0745?
Check Price and Availability of F070-0745, 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 F070-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F070-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F070-0745
  • 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 F070-0745 available by request