SC15-0004 Screening compound: 1-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}methyl)-4-[(2-pyrazinyloxy)methyl]-2-pyrrolidinone

SC15-0004 Screening compound: 1-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}methyl)-4-[(2-pyrazinyloxy)methyl]-2-pyrrolidinone
SC15-0004 Screening compound: 1-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}methyl)-4-[(2-pyrazinyloxy)methyl]-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC15-0004
1-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}methyl)-4-[(2-pyrazinyloxy)methyl]-2-pyrrolidinone

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

SC15-0004

Molecular Formula

C20H28N6O4S (C20 H28 N6 O4 S)

Compound Name

1-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}methyl)-4-[(2-pyrazinyloxy)methyl]-2-pyrrolidinone

IUPAC name

1-({1-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-4-[(pyrazin-2-yloxy)methyl]pyrrolidin-2-one

SMILES

Cc1nc(S(N2CCC(CN(CC(COc3nccnc3)C3)C3=O)CC2)(=O)=O)cn1C

InChI

InChI=1S/C20H28N6O4S/c1-15-23-19(13-24(15)2)31(28,29)26-7-3-16(4-8-26)11-25-12-17(9-20(25)27)14-30-18-10-21-5-6-22-18/h5-6,10,13,16-17H,3-4,7-9,11-12,14H2,1-2H3/t17-/m1/s1

InChI Key

FHVQHIUUNYOSPM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32255742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.879

Distribution Coefficient, logD

0.879

Water Solubility, LogSw

-1.74

Polar Surface Area

87.189

Acid Dissociation Constant (pKa)

16.84

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SC15-0004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SC15-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC15-0004?
Check Price and Availability of SC15-0004, 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 SC15-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC15-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC15-0004
  • 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 SC15-0004 available by request