S571-0088 Screening compound: N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-4-phenylbutanamide

S571-0088 Screening compound: N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-4-phenylbutanamide
S571-0088 Screening compound: N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0088
N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-4-phenylbutanamide

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

S571-0088

Molecular Formula

C19H24N2O2 (C19 H24 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCc1ccccc1)NCC1(CCC(N2)=O)C2=CCC1

InChI

InChI=1S/C19H24N2O2/c22-17(10-4-8-15-6-2-1-3-7-15)20-14-19-12-5-9-16(19)21-18(23)11-13-19/h1-3,6-7,9H,4-5,8,10-14H2,(H,20,22)(H,21,23)/t19-/m0/s1

InChI Key

XWOFQKOKQUINRK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31978818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.26

Polar Surface Area

49.958

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S571-0088 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S571-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0088?
Check Price and Availability of S571-0088, 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 S571-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0088
  • 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 S571-0088 available by request