C301-8517 Screening compound: N-(4-bromo-3-methylphenyl)-3-(piperidin-1-yl)quinoxaline-2-carboxamide

C301-8517 Screening compound: N-(4-bromo-3-methylphenyl)-3-(piperidin-1-yl)quinoxaline-2-carboxamide
C301-8517 Screening compound: N-(4-bromo-3-methylphenyl)-3-(piperidin-1-yl)quinoxaline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8517
N-(4-bromo-3-methylphenyl)-3-(piperidin-1-yl)quinoxaline-2-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

C301-8517

Molecular Formula

C21H21BrN4O (C21 H21 BrN4 O)

Compound Name

N-(4-bromo-3-methylphenyl)-3-(piperidin-1-yl)quinoxaline-2-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-3-(piperidin-1-yl)quinoxaline-2-carboxamide

SMILES

Cc(cc(cc1)NC(c2nc3ccccc3nc2N2CCCCC2)=O)c1Br

InChI

InChI=1S/C21H21BrN4O/c1-14-13-15(9-10-16(14)22)23-21(27)19-20(26-11-5-2-6-12-26)25-18-8-4-3-7-17(18)24-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,23,27)

InChI Key

SVKDCDZZXAOEOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.715

Distribution Coefficient, logD

5.701

Water Solubility, LogSw

-5.35

Polar Surface Area

44.419

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C301-8517 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 C301-8517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8517?
Check Price and Availability of C301-8517, 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 C301-8517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8517
  • 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 C301-8517 available by request