S421-1148 Screening compound: 2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-[(pyridin-4-yl)methyl]acetamide

S421-1148 Screening compound: 2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-[(pyridin-4-yl)methyl]acetamide
S421-1148 Screening compound: 2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-1148
2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-[(pyridin-4-yl)methyl]acetamide

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

S421-1148

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-[(pyridin-4-yl)methyl]acetamide

SMILES

COc1ccc(CCC(N2CC(CC(NCc3ccncc3)=O)CC2)=O)cc1

InChI

InChI=1S/C22H27N3O3/c1-28-20-5-2-17(3-6-20)4-7-22(27)25-13-10-19(16-25)14-21(26)24-15-18-8-11-23-12-9-18/h2-3,5-6,8-9,11-12,19H,4,7,10,13-16H2,1H3,(H,24,26)/t19-/m0/s1

InChI Key

BOFHFJUGXZKTFF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31980673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-1.75

Polar Surface Area

57.831

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S421-1148 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)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S421-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-1148?
Check Price and Availability of S421-1148, 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 S421-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-1148
  • 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 S421-1148 available by request