S421-0412 Screening compound: N-cyclopropyl-2-{1-[2-(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide

S421-0412 Screening compound: N-cyclopropyl-2-{1-[2-(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide
S421-0412 Screening compound: N-cyclopropyl-2-{1-[2-(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-0412
N-cyclopropyl-2-{1-[2-(thiophen-3-yl)acetyl]pyrrolidin-3-yl}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

S421-0412

Molecular Formula

C15H20N2O2S (C15 H20 N2 O2 S)

Compound Name

N-cyclopropyl-2-{1-[2-(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide

IUPAC name

N-cyclopropyl-2-{1-[2-(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide

SMILES

O=C(CC(CC1)CN1C(Cc1cscc1)=O)NC1CC1

InChI

InChI=1S/C15H20N2O2S/c18-14(16-13-1-2-13)7-11-3-5-17(9-11)15(19)8-12-4-6-20-10-12/h4,6,10-11,13H,1-3,5,7-9H2,(H,16,18)/t11-/m0/s1

InChI Key

LLXNKAYBSBTLOJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD29017714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.716

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-2.42

Polar Surface Area

41.933

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S421-0412 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S421-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-0412?
Check Price and Availability of S421-0412, 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 S421-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-0412
  • 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 S421-0412 available by request