D431-0055 Screening compound: 2-(3,4-dimethylphenoxy)-N-(quinoxalin-6-yl)acetamide

D431-0055 Screening compound: 2-(3,4-dimethylphenoxy)-N-(quinoxalin-6-yl)acetamide
D431-0055 Screening compound: 2-(3,4-dimethylphenoxy)-N-(quinoxalin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D431-0055
2-(3,4-dimethylphenoxy)-N-(quinoxalin-6-yl)acetamide

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

D431-0055

Molecular Formula

C18H17N3O2 (C18 H17 N3 O2)

Compound Name

2-(3,4-dimethylphenoxy)-N-(quinoxalin-6-yl)acetamide

IUPAC name

2-(34-dimethylphenoxy)-N-(quinoxalin-6-yl)acetamide

SMILES

Cc(cc1)c(C)cc1OCC(Nc1cc2nccnc2cc1)=O

InChI

InChI=1S/C18H17N3O2/c1-12-3-5-15(9-13(12)2)23-11-18(22)21-14-4-6-16-17(10-14)20-8-7-19-16/h3-10H,11H2,1-2H3,(H,21,22)

InChI Key

BAPBWWXNKIUPIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.59

Polar Surface Area

48.412

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D431-0055 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 D431-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D431-0055?
Check Price and Availability of D431-0055, 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 D431-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D431-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D431-0055
  • 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 D431-0055 available by request