S204-0208 Screening compound: 2-[3-[1-(1-isoquinolylcarbonyl)-4-piperidyl]-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]-N~1~-methylacetamide

S204-0208 Screening compound: 2-[3-[1-(1-isoquinolylcarbonyl)-4-piperidyl]-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]-N~1~-methylacetamide
S204-0208 Screening compound: 2-[3-[1-(1-isoquinolylcarbonyl)-4-piperidyl]-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S204-0208
2-[3-[1-(1-isoquinolylcarbonyl)-4-piperidyl]-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]-N~1~-methylacetamide

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

S204-0208

Molecular Formula

C24H27N5O3 (C24 H27 N5 O3)

Compound Name

2-[3-[1-(1-isoquinolylcarbonyl)-4-piperidyl]-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]-N~1~-methylacetamide

IUPAC name

2-{3-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H4H6H7H-pyrano[43-c]pyrazol-1-yl}-N-methylacetamide

SMILES

CNC(Cn1nc(C(CC2)CCN2C(c2nccc3ccccc23)=O)c2c1CCOC2)=O

InChI

InChI=1S/C24H27N5O3/c1-25-21(30)14-29-20-9-13-32-15-19(20)22(27-29)17-7-11-28(12-8-17)24(31)23-18-5-3-2-4-16(18)6-10-26-23/h2-6,10,17H,7-9,11-15H2,1H3,(H,25,30)

InChI Key

CIWWTUPPRNJVCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.973

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-2.36

Polar Surface Area

73.843

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

S204-0208 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S204-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S204-0208?
Check Price and Availability of S204-0208, 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 S204-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S204-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S204-0208
  • 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 S204-0208 available by request