S421-0985 Screening compound: N-benzyl-2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-methylacetamide

S421-0985 Screening compound: N-benzyl-2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-methylacetamide
S421-0985 Screening compound: N-benzyl-2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-0985
N-benzyl-2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-methylacetamide

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

S421-0985

Molecular Formula

C24H30N2O3 (C24 H30 N2 O3)

Compound Name

N-benzyl-2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-methylacetamide

IUPAC name

N-benzyl-2-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CC(CC1)CN1C(CCc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C24H30N2O3/c1-25(17-20-6-4-3-5-7-20)24(28)16-21-14-15-26(18-21)23(27)13-10-19-8-11-22(29-2)12-9-19/h3-9,11-12,21H,10,13-18H2,1-2H3/t21-/m0/s1

InChI Key

VTMVUQOFECPQRG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31986601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.792

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-4.09

Polar Surface Area

39.826

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

S421-0985 in Drug Discovery

Included in Screening Libraries

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

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 S421-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-0985?
Check Price and Availability of S421-0985, 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 S421-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-0985
  • 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 S421-0985 available by request