7029-0051 Screening compound: 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline

7029-0051 Screening compound: 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline
7029-0051 Screening compound: 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7029-0051
2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline

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

7029-0051

Molecular Formula

C16H13N3O3 (C16 H13 N3 O3)

Compound Name

2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline

IUPAC name

2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline

SMILES

Cc1nc2ccccc2nc1OCc1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C16H13N3O3/c1-11-16(18-15-8-3-2-7-14(15)17-11)22-10-12-5-4-6-13(9-12)19(20)21/h2-9H,10H2,1H3

InChI Key

OFJZNDUXCSWQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05102517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-4.14

Polar Surface Area

59.115

Acid Dissociation Constant (pKa)

25.31

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

7029-0051 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 7029-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7029-0051?
Check Price and Availability of 7029-0051, 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 7029-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7029-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7029-0051
  • 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 7029-0051 available by request