C301-7008 Screening compound: N-[1,4-diethyl-2,3-dioxo-7-(piperidin-1-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-methyl-3-nitrobenzamide

C301-7008 Screening compound: N-[1,4-diethyl-2,3-dioxo-7-(piperidin-1-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-methyl-3-nitrobenzamide
C301-7008 Screening compound: N-[1,4-diethyl-2,3-dioxo-7-(piperidin-1-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7008
N-[1,4-diethyl-2,3-dioxo-7-(piperidin-1-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-methyl-3-nitrobenzamide

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

C301-7008

Molecular Formula

C25H29N5O5 (C25 H29 N5 O5)

Compound Name

N-[1,4-diethyl-2,3-dioxo-7-(piperidin-1-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-methyl-3-nitrobenzamide

IUPAC name

N-[14-diethyl-23-dioxo-7-(piperidin-1-yl)-1234-tetrahydroquinoxalin-6-yl]-4-methyl-3-nitrobenzamide

SMILES

CCN(c(c(N(CC)C1=O)c2)cc(NC(c3cc([N+]([O-])=O)c(C)cc3)=O)c2N2CCCCC2)C1=O

InChI

InChI=1S/C25H29N5O5/c1-4-28-21-14-18(26-23(31)17-10-9-16(3)19(13-17)30(34)35)20(27-11-7-6-8-12-27)15-22(21)29(5-2)25(33)24(28)32/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,26,31)

InChI Key

NUEWXARCIFEXHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-4.25

Polar Surface Area

89.141

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C301-7008 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 C301-7008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7008?
Check Price and Availability of C301-7008, 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 C301-7008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7008
  • 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 C301-7008 available by request