S421-0948 Screening compound: 3-{[benzyl(methyl)carbamoyl]methyl}-N-(3-methylphenyl)pyrrolidine-1-carboxamide

S421-0948 Screening compound: 3-{[benzyl(methyl)carbamoyl]methyl}-N-(3-methylphenyl)pyrrolidine-1-carboxamide
S421-0948 Screening compound: 3-{[benzyl(methyl)carbamoyl]methyl}-N-(3-methylphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-0948
3-{[benzyl(methyl)carbamoyl]methyl}-N-(3-methylphenyl)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

S421-0948

Molecular Formula

C22H27N3O2 (C22 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(N2CC(CC(N(C)Cc3ccccc3)=O)CC2)=O)c1

InChI

InChI=1S/C22H27N3O2/c1-17-7-6-10-20(13-17)23-22(27)25-12-11-19(16-25)14-21(26)24(2)15-18-8-4-3-5-9-18/h3-10,13,19H,11-12,14-16H2,1-2H3,(H,23,27)/t19-/m0/s1

InChI Key

QIOQMLRBMUNZAF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31985473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-4.03

Polar Surface Area

41.630

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

S421-0948 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S421-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-0948?
Check Price and Availability of S421-0948, 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 S421-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-0948
  • 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 S421-0948 available by request