S590-0611 Screening compound: N-({2-benzyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-5-bromopyridine-3-carboxamide

S590-0611 Screening compound: N-({2-benzyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-5-bromopyridine-3-carboxamide
S590-0611 Screening compound: N-({2-benzyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-5-bromopyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S590-0611
N-({2-benzyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-5-bromopyridine-3-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

S590-0611

Molecular Formula

C21H21BrN4O (C21 H21 BrN4 O)

Compound Name

N-({2-benzyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-5-bromopyridine-3-carboxamide

IUPAC name

N-({2-benzyl-1H2H3H4H-pyrrolo[12-a]pyrazin-3-yl}methyl)-5-bromopyridine-3-carboxamide

SMILES

O=C(c1cc(Br)cnc1)NCC1N(Cc2ccccc2)Cc2cccn2C1

InChI

InChI=1S/C21H21BrN4O/c22-18-9-17(10-23-11-18)21(27)24-12-20-15-25-8-4-7-19(25)14-26(20)13-16-5-2-1-3-6-16/h1-11,20H,12-15H2,(H,24,27)/t20-/m0/s1

InChI Key

XQKQJJAINRNUJC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29015170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

2.972

Water Solubility, LogSw

-3.13

Polar Surface Area

40.242

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

S590-0611 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S590-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S590-0611?
Check Price and Availability of S590-0611, 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 S590-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S590-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S590-0611
  • 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 S590-0611 available by request