C301-5050 Screening compound: 2-morpholino-5-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoic acid

C301-5050 Screening compound: 2-morpholino-5-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoic acid
C301-5050 Screening compound: 2-morpholino-5-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5050
2-morpholino-5-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoic acid

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

C301-5050

Molecular Formula

C20H18N6O3 (C20 H18 N6 O3)

Compound Name

2-morpholino-5-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoic acid

IUPAC name

2-(morpholin-4-yl)-5-({[124]triazolo[43-a]quinoxalin-4-yl}amino)benzoic acid

SMILES

OC(c(cc(cc1)Nc2nc(cccc3)c3n3c2nnc3)c1N1CCOCC1)=O

InChI

InChI=1S/C20H18N6O3/c27-20(28)14-11-13(5-6-16(14)25-7-9-29-10-8-25)22-18-19-24-21-12-26(19)17-4-2-1-3-15(17)23-18/h1-6,11-12H,7-10H2,(H,22,23)(H,27,28)

InChI Key

ZRJIZRGDBWNRNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13899567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.415

Distribution Coefficient, logD

-0.243

Water Solubility, LogSw

-3.03

Polar Surface Area

79.546

Acid Dissociation Constant (pKa)

4.74

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-5050 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-5050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5050?
Check Price and Availability of C301-5050, 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 C301-5050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5050
  • 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 C301-5050 available by request