0635-0080 Screening compound: 3-[2-(METHYLAMINO)PHENYL]-1H,2H-BENZO[G]QUINOXALIN-2-ONE

0635-0080 Screening compound: 3-[2-(METHYLAMINO)PHENYL]-1H,2H-BENZO[G]QUINOXALIN-2-ONE
0635-0080 Screening compound: 3-[2-(METHYLAMINO)PHENYL]-1H,2H-BENZO[G]QUINOXALIN-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0635-0080
3-[2-(METHYLAMINO)PHENYL]-1H,2H-BENZO[G]QUINOXALIN-2-ONE

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

0635-0080

Molecular Formula

C19H15N3O (C19 H15 N3 O)

Compound Name

3-[2-(METHYLAMINO)PHENYL]-1H,2H-BENZO[G]QUINOXALIN-2-ONE

IUPAC name

3-[2-(methylamino)phenyl]-1H2H-benzo[g]quinoxalin-2-one

SMILES

CNc(cccc1)c1C1=Nc2cc3ccccc3cc2NC1=O

InChI

InChI=1S/C19H15N3O/c1-20-15-9-5-4-8-14(15)18-19(23)22-17-11-13-7-3-2-6-12(13)10-16(17)21-18/h2-11,20H,1H3,(H,22,23)

InChI Key

MFKINTGHKZCOMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

3.521

Water Solubility, LogSw

-3.85

Polar Surface Area

42.640

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

0635-0080 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0635-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0635-0080?
Check Price and Availability of 0635-0080, 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 0635-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0635-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0635-0080
  • 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 0635-0080 available by request