C301-5149 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxamide

C301-5149 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxamide
C301-5149 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5149
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-{[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

C301-5149

Molecular Formula

C25H28N6O3 (C25 H28 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CNC(C(CC1)CCN1c1nc(cccc2)c2n2c1nnc2)=O)c1)c1OC

InChI

InChI=1S/C25H28N6O3/c1-3-34-21-9-8-17(14-22(21)33-2)15-26-25(32)18-10-12-30(13-11-18)23-24-29-27-16-31(24)20-7-5-4-6-19(20)28-23/h4-9,14,16,18H,3,10-13,15H2,1-2H3,(H,26,32)

InChI Key

SLMNMEVRQCLPEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

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

2.412

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.77

Polar Surface Area

73.166

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

11.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C301-5149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5149?
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What is the minimum amount of C301-5149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5149
  • 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 C301-5149 available by request