G551-0239 Screening compound: 1-benzyl-N-(2-phenylethyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxamide

G551-0239 Screening compound: 1-benzyl-N-(2-phenylethyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxamide
G551-0239 Screening compound: 1-benzyl-N-(2-phenylethyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G551-0239
1-benzyl-N-(2-phenylethyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-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

G551-0239

Molecular Formula

C23H25N3O (C23 H25 N3 O)

Compound Name

1-benzyl-N-(2-phenylethyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxamide

IUPAC name

1-benzyl-N-(2-phenylethyl)-1H2H3H4H-pyrrolo[12-a]pyrazine-2-carboxamide

SMILES

O=C(NCCc1ccccc1)N1C(Cc2ccccc2)c2cccn2CC1

InChI

InChI=1S/C23H25N3O/c27-23(24-14-13-19-8-3-1-4-9-19)26-17-16-25-15-7-12-21(25)22(26)18-20-10-5-2-6-11-20/h1-12,15,22H,13-14,16-18H2,(H,24,27)/t22-/m0/s1

InChI Key

YHQAKFGIYBNUHU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15019301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.53

Polar Surface Area

28.298

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

G551-0239 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G551-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G551-0239?
Check Price and Availability of G551-0239, 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 G551-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G551-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G551-0239
  • 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 G551-0239 available by request