C209-0176 Screening compound: 3-isopropyl-7-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone

C209-0176 Screening compound: 3-isopropyl-7-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone
C209-0176 Screening compound: 3-isopropyl-7-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound C209-0176
3-isopropyl-7-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone

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

C209-0176

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

3-isopropyl-7-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-quinoxalinone

IUPAC name

7-(4-methylpiperidine-1-carbonyl)-3-(propan-2-yl)-1234-tetrahydroquinoxalin-2-one

SMILES

CC(C)C1Nc(ccc(C(N2CCC(C)CC2)=O)c2)c2NC1=O

InChI

InChI=1S/C18H25N3O2/c1-11(2)16-17(22)20-15-10-13(4-5-14(15)19-16)18(23)21-8-6-12(3)7-9-21/h4-5,10-12,16,19H,6-9H2,1-3H3,(H,20,22)/t16-/m0/s1

InChI Key

IANQDXNJLDXXLS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14732235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-2.97

Polar Surface Area

53.912

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

C209-0176 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 C209-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C209-0176?
Check Price and Availability of C209-0176, 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 C209-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C209-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C209-0176
  • 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 C209-0176 available by request