S421-0971 Screening compound: 3-{[benzyl(methyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

S421-0971 Screening compound: 3-{[benzyl(methyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide
S421-0971 Screening compound: 3-{[benzyl(methyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-0971
3-{[benzyl(methyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

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

S421-0971

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

3-{[benzyl(methyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

IUPAC name

3-{[benzyl(methyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

SMILES

Cc1ccc(CNC(N2CC(CC(N(C)Cc3ccccc3)=O)CC2)=O)cc1

InChI

InChI=1S/C23H29N3O2/c1-18-8-10-19(11-9-18)15-24-23(28)26-13-12-21(17-26)14-22(27)25(2)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H,24,28)/t21-/m0/s1

InChI Key

ZJJKNMUVNZGMEL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31985566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-3.71

Polar Surface Area

42.952

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

S421-0971 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 S421-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-0971?
Check Price and Availability of S421-0971, 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 S421-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-0971
  • 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 S421-0971 available by request