L117-0014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide

L117-0014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide
L117-0014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L117-0014
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyquinoxalin-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

L117-0014

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide

SMILES

COc1nc2ccccc2nc1N(CC1)CCC1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C23H24N4O4/c1-29-23-21(25-17-4-2-3-5-18(17)26-23)27-10-8-16(9-11-27)22(28)24-13-15-6-7-19-20(12-15)31-14-30-19/h2-7,12,16H,8-11,13-14H2,1H3,(H,24,28)

InChI Key

VUUNCGSKILTZPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.77

Polar Surface Area

70.387

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L117-0014 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L117-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L117-0014?
Check Price and Availability of L117-0014, 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 L117-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L117-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L117-0014
  • 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 L117-0014 available by request