C800-0520 Screening compound: N-(3,4-dimethylphenyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

C800-0520 Screening compound: N-(3,4-dimethylphenyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
C800-0520 Screening compound: N-(3,4-dimethylphenyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0520
N-(3,4-dimethylphenyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

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

C800-0520

Molecular Formula

C20H23N3O (C20 H23 N3 O)

Compound Name

N-(3,4-dimethylphenyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

IUPAC name

N-(34-dimethylphenyl)-1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-5-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(N1c(cccc2)c2N(CCC2)C2C1)=O

InChI

InChI=1S/C20H23N3O/c1-14-9-10-16(12-15(14)2)21-20(24)23-13-17-6-5-11-22(17)18-7-3-4-8-19(18)23/h3-4,7-10,12,17H,5-6,11,13H2,1-2H3,(H,21,24)/t17-/m1/s1

InChI Key

GFQLOTNHACUFDO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14799750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.535

Distribution Coefficient, logD

4.535

Water Solubility, LogSw

-4.18

Polar Surface Area

27.298

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C800-0520 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C800-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0520?
Check Price and Availability of C800-0520, 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 C800-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0520
  • 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 C800-0520 available by request