S571-0171 Screening compound: 5-(1H-IMIDAZOL-1-YLMETHYL)-N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-2-FURAMIDE

S571-0171 Screening compound: 5-(1H-IMIDAZOL-1-YLMETHYL)-N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-2-FURAMIDE
S571-0171 Screening compound: 5-(1H-IMIDAZOL-1-YLMETHYL)-N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-2-FURAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0171
5-(1H-IMIDAZOL-1-YLMETHYL)-N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-2-FURAMIDE

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

S571-0171

Molecular Formula

C19H22N4O3 (C19 H22 N4 O3)

Compound Name

5-(1H-IMIDAZOL-1-YLMETHYL)-N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-2-FURAMIDE

IUPAC name

n/a

SMILES

CN(C1=CCCC1(CNC(c1ccc(Cn2cncc2)o1)=O)CC1)C1=O

InChI

InChI=1S/C19H22N4O3/c1-22-16-3-2-7-19(16,8-6-17(22)24)12-21-18(25)15-5-4-14(26-15)11-23-10-9-20-13-23/h3-5,9-10,13H,2,6-8,11-12H2,1H3,(H,21,25)/t19-/m0/s1

InChI Key

GHQXHKFEKONAPF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29014882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.208

Distribution Coefficient, logD

1.185

Water Solubility, LogSw

-1.82

Polar Surface Area

60.838

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

S571-0171 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S571-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0171?
Check Price and Availability of S571-0171, 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 S571-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0171
  • 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 S571-0171 available by request