C301-4476 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxamide

C301-4476 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxamide
C301-4476 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4476
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-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

C301-4476

Molecular Formula

C26H30N6O3 (C26 H30 N6 O3)

Compound Name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxamide

IUPAC name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}piperidine-4-carboxamide

SMILES

CCOc(ccc(CNC(C(CC1)CCN1c1nc(cccc2)c2n2c1nnc2C)=O)c1)c1OC

InChI

InChI=1S/C26H30N6O3/c1-4-35-22-10-9-18(15-23(22)34-3)16-27-26(33)19-11-13-31(14-12-19)24-25-30-29-17(2)32(25)21-8-6-5-7-20(21)28-24/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,27,33)

InChI Key

VASOZJAQOGAQEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-2.76

Polar Surface Area

73.337

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C301-4476 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-4476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4476?
Check Price and Availability of C301-4476, 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 C301-4476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4476
  • 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 C301-4476 available by request