6456-0577 Screening compound: 2-(3-oxo-decahydroquinoxalin-2-yl)-N-phenylacetamide

6456-0577 Screening compound: 2-(3-oxo-decahydroquinoxalin-2-yl)-N-phenylacetamide
6456-0577 Screening compound: 2-(3-oxo-decahydroquinoxalin-2-yl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0577
2-(3-oxo-decahydroquinoxalin-2-yl)-N-phenylacetamide

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

6456-0577

Molecular Formula

C16H21N3O2 (C16 H21 N3 O2)

Compound Name

2-(3-oxo-decahydroquinoxalin-2-yl)-N-phenylacetamide

IUPAC name

2-(3-oxo-decahydroquinoxalin-2-yl)-N-phenylacetamide

SMILES

O=C(CC1NC(CCCC2)C2NC1=O)Nc1ccccc1

InChI

InChI=1S/C16H21N3O2/c20-15(17-11-6-2-1-3-7-11)10-14-16(21)19-13-9-5-4-8-12(13)18-14/h1-3,6-7,12-14,18H,4-5,8-10H2,(H,17,20)(H,19,21)

InChI Key

AIKBGOLKCFZIGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.657

Distribution Coefficient, logD

1.121

Water Solubility, LogSw

-1.97

Polar Surface Area

61.659

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

6456-0577 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 6456-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0577?
Check Price and Availability of 6456-0577, 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 6456-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0577
  • 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 6456-0577 available by request