4112-3117 Screening compound: 2-amino-1-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile

4112-3117 Screening compound: 2-amino-1-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
4112-3117 Screening compound: 2-amino-1-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3117
2-amino-1-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile

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

4112-3117

Molecular Formula

C19H15N5 (C19 H15 N5)

Compound Name

2-amino-1-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile

IUPAC name

2-amino-1-(25-dimethylphenyl)-1H-pyrrolo[23-b]quinoxaline-3-carbonitrile

SMILES

Cc1cc(-n2c3nc4ccccc4nc3c(C#N)c2N)c(C)cc1

InChI

InChI=1S/C19H15N5/c1-11-7-8-12(2)16(9-11)24-18(21)13(10-20)17-19(24)23-15-6-4-3-5-14(15)22-17/h3-9H,21H2,1-2H3

InChI Key

HKHWTEWSBQXACF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02363305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.42

Polar Surface Area

56.737

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

4112-3117 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4112-3117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3117?
Check Price and Availability of 4112-3117, 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 4112-3117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3117
  • 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 4112-3117 available by request