S571-0252 Screening compound: 3-methoxy-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

S571-0252 Screening compound: 3-methoxy-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide
S571-0252 Screening compound: 3-methoxy-N-({1-methyl-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 S571-0252
3-methoxy-N-({1-methyl-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

S571-0252

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=CCCC1(CNC(c1cc(OC)ccc1)=O)CC1)C1=O

InChI

InChI=1S/C18H22N2O3/c1-20-15-7-4-9-18(15,10-8-16(20)21)12-19-17(22)13-5-3-6-14(11-13)23-2/h3,5-7,11H,4,8-10,12H2,1-2H3,(H,19,22)/t18-/m0/s1

InChI Key

IXCWCUGIXFRRHF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31983941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.145

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.78

Polar Surface Area

47.990

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S571-0252 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 BBB Library (22607 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
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S571-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0252?
Check Price and Availability of S571-0252, 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 S571-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0252
  • 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 S571-0252 available by request