C301-9349 Screening compound: benzyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinoxaline-2-carboxylate

C301-9349 Screening compound: benzyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinoxaline-2-carboxylate
C301-9349 Screening compound: benzyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinoxaline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9349
benzyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinoxaline-2-carboxylate

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

C301-9349

Molecular Formula

C26H25N3O4 (C26 H25 N3 O4)

Compound Name

benzyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinoxaline-2-carboxylate

IUPAC name

benzyl 3-{[2-(34-dimethoxyphenyl)ethyl]amino}quinoxaline-2-carboxylate

SMILES

COc(ccc(CCNc1nc2ccccc2nc1C(OCc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C26H25N3O4/c1-31-22-13-12-18(16-23(22)32-2)14-15-27-25-24(28-20-10-6-7-11-21(20)29-25)26(30)33-17-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,29)

InChI Key

JTWOWDOQBAERLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.65

Polar Surface Area

64.776

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C301-9349 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-9349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9349?
Check Price and Availability of C301-9349, 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 C301-9349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9349
  • 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 C301-9349 available by request