C301-9398 Screening compound: N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3,4-dimethoxybenzamide

C301-9398 Screening compound: N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3,4-dimethoxybenzamide
C301-9398 Screening compound: N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9398
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3,4-dimethoxybenzamide

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

C301-9398

Molecular Formula

C25H30N4O5 (C25 H30 N4 O5)

Compound Name

N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3,4-dimethoxybenzamide

IUPAC name

N-[14-dimethyl-7-(4-methylpiperidin-1-yl)-23-dioxo-1234-tetrahydroquinoxalin-6-yl]-34-dimethoxybenzamide

SMILES

CC(CC1)CCN1c(c(NC(c(cc1)cc(OC)c1OC)=O)c1)cc(N(C)C2=O)c1N(C)C2=O

InChI

InChI=1S/C25H30N4O5/c1-15-8-10-29(11-9-15)18-14-20-19(27(2)24(31)25(32)28(20)3)13-17(18)26-23(30)16-6-7-21(33-4)22(12-16)34-5/h6-7,12-15H,8-11H2,1-5H3,(H,26,30)

InChI Key

ARKMQSLSPKYNOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-3.24

Polar Surface Area

71.404

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

9.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C301-9398 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 C301-9398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9398?
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What is the minimum amount of C301-9398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9398
  • 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 C301-9398 available by request