S421-1330 Screening compound: 2-(1-methanesulfonylpyrrolidin-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethan-1-one

S421-1330 Screening compound: 2-(1-methanesulfonylpyrrolidin-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethan-1-one
S421-1330 Screening compound: 2-(1-methanesulfonylpyrrolidin-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-1330
2-(1-methanesulfonylpyrrolidin-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethan-1-one

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

S421-1330

Molecular Formula

C15H29N3O3S (C15 H29 N3 O3 S)

Compound Name

2-(1-methanesulfonylpyrrolidin-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(1-methanesulfonylpyrrolidin-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethan-1-one

SMILES

CC(C)CN(CC1)CCN1C(CC(CC1)CN1S(C)(=O)=O)=O

InChI

InChI=1S/C15H29N3O3S/c1-13(2)11-16-6-8-17(9-7-16)15(19)10-14-4-5-18(12-14)22(3,20)21/h13-14H,4-12H2,1-3H3/t14-/m0/s1

InChI Key

NWTDZSPVRZHVBR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31993553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.788

Distribution Coefficient, logD

0.448

Water Solubility, LogSw

-1.48

Polar Surface Area

51.946

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

93.33

S421-1330 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S421-1330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-1330?
Check Price and Availability of S421-1330, 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 S421-1330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-1330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-1330
  • 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 S421-1330 available by request