R052-2798 Screening compound: 1-phenyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

R052-2798 Screening compound: 1-phenyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
R052-2798 Screening compound: 1-phenyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2798
1-phenyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

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

R052-2798

Molecular Formula

C13H14N2 (C13 H14 N2)

Compound Name

1-phenyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

IUPAC name

1-phenyl-1H2H3H4H-pyrrolo[12-a]pyrazine

SMILES

C(Cn1c2ccc1)NC2c1ccccc1

InChI

InChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2/t13-/m1/s1

InChI Key

OJWIBJCTTSRXTB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00297430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

198.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.716

Distribution Coefficient, logD

1.294

Water Solubility, LogSw

-1.53

Polar Surface Area

14.658

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

R052-2798 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Hsp90-Targeted Library (11355 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with R052-2798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2798?
Check Price and Availability of R052-2798, 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 R052-2798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2798
  • 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 R052-2798 available by request