S421-0476 Screening compound: N-cyclopropyl-2-[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-3-yl]acetamide

S421-0476 Screening compound: N-cyclopropyl-2-[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-3-yl]acetamide
S421-0476 Screening compound: N-cyclopropyl-2-[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-0476
N-cyclopropyl-2-[1-(5-methylpyrazine-2-carbonyl)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

S421-0476

Molecular Formula

C15H20N4O2 (C15 H20 N4 O2)

Compound Name

N-cyclopropyl-2-[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-3-yl]acetamide

IUPAC name

N-cyclopropyl-2-[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-3-yl]acetamide

SMILES

Cc(nc1)cnc1C(N1CC(CC(NC2CC2)=O)CC1)=O

InChI

InChI=1S/C15H20N4O2/c1-10-7-17-13(8-16-10)15(21)19-5-4-11(9-19)6-14(20)18-12-2-3-12/h7-8,11-12H,2-6,9H2,1H3,(H,18,20)/t11-/m0/s1

InChI Key

LHZKQGPQYRRHAM-NSHDSACASA-N

MDL Number (MFCD)

MFCD31960378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.535

Distribution Coefficient, logD

0.535

Water Solubility, LogSw

-1.65

Polar Surface Area

59.524

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S421-0476 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S421-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-0476?
Check Price and Availability of S421-0476, 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 S421-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-0476
  • 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 S421-0476 available by request