C201-0451 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(quinoxalin-2-yl)piperidine-3-carboxamide

C201-0451 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(quinoxalin-2-yl)piperidine-3-carboxamide
C201-0451 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(quinoxalin-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0451
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(quinoxalin-2-yl)piperidine-3-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

C201-0451

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1c1nc2ccccc2nc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H22N4O3/c27-22(24-11-15-7-8-19-20(10-15)29-14-28-19)16-4-3-9-26(13-16)21-12-23-17-5-1-2-6-18(17)25-21/h1-2,5-8,10,12,16H,3-4,9,11,13-14H2,(H,24,27)/t16-/m0/s1

InChI Key

HCNVIANBSJFHRQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09248518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.20

Polar Surface Area

62.071

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C201-0451 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0451?
Check Price and Availability of C201-0451, 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 C201-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0451
  • 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 C201-0451 available by request