S056-0482 Screening compound: N~2~-{1-[(6-ethoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

S056-0482 Screening compound: N~2~-{1-[(6-ethoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide
S056-0482 Screening compound: N~2~-{1-[(6-ethoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0482
N~2~-{1-[(6-ethoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

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

S056-0482

Molecular Formula

C17H21N5O2 (C17 H21 N5 O2)

Compound Name

N~2~-{1-[(6-ethoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

IUPAC name

n/a

SMILES

CCOc1ncc(CN(CC2)CC2NC(c2nccnc2)=O)cc1

InChI

InChI=1S/C17H21N5O2/c1-2-24-16-4-3-13(9-20-16)11-22-8-5-14(12-22)21-17(23)15-10-18-6-7-19-15/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3,(H,21,23)/t14-/m0/s1

InChI Key

CRICEJNESUFCMC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29033291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.772

Distribution Coefficient, logD

0.427

Water Solubility, LogSw

-1.42

Polar Surface Area

62.944

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

S056-0482 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S056-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0482?
Check Price and Availability of S056-0482, 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 S056-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0482
  • 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 S056-0482 available by request