G117-0361 Screening compound: N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

G117-0361 Screening compound: N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
G117-0361 Screening compound: N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0361
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-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

G117-0361

Molecular Formula

C22H20BrF3N4O (C22 H20 BrF3 N4 O)

Compound Name

N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

IUPAC name

N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nc2ccccc2nc1C(F)(F)F)NCc1cccc(Br)c1

InChI

InChI=1S/C22H20BrF3N4O/c23-16-5-3-4-14(12-16)13-27-21(31)15-8-10-30(11-9-15)20-19(22(24,25)26)28-17-6-1-2-7-18(17)29-20/h1-7,12,15H,8-11,13H2,(H,27,31)

InChI Key

YSXWILOPJHOUJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27209498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.819

Water Solubility, LogSw

-4.87

Polar Surface Area

45.741

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G117-0361 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G117-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0361?
Check Price and Availability of G117-0361, 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 G117-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0361
  • 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 G117-0361 available by request