S571-0111 Screening compound: 4-methoxy-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

S571-0111 Screening compound: 4-methoxy-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide
S571-0111 Screening compound: 4-methoxy-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0111
4-methoxy-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

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

S571-0111

Molecular Formula

C17H20N2O3 (C17 H20 N2 O3)

Compound Name

4-methoxy-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

IUPAC name

4-methoxy-N-({2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

SMILES

COc(cc1)ccc1C(NCC1(CCC(N2)=O)C2=CCC1)=O

InChI

InChI=1S/C17H20N2O3/c1-22-13-6-4-12(5-7-13)16(21)18-11-17-9-2-3-14(17)19-15(20)8-10-17/h3-7H,2,8-11H2,1H3,(H,18,21)(H,19,20)/t17-/m0/s1

InChI Key

YMNMPZSOOJADAV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31980828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.948

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.36

Polar Surface Area

57.716

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S571-0111 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S571-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0111?
Check Price and Availability of S571-0111, 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 S571-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0111
  • 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 S571-0111 available by request