S204-0203 Screening compound: N~1~-methyl-2-[3-{1-[2-(3-thienyl)acetyl]-4-piperidyl}-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acetamide

S204-0203 Screening compound: N~1~-methyl-2-[3-{1-[2-(3-thienyl)acetyl]-4-piperidyl}-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acetamide
S204-0203 Screening compound: N~1~-methyl-2-[3-{1-[2-(3-thienyl)acetyl]-4-piperidyl}-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S204-0203
N~1~-methyl-2-[3-{1-[2-(3-thienyl)acetyl]-4-piperidyl}-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-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

S204-0203

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

N~1~-methyl-2-[3-{1-[2-(3-thienyl)acetyl]-4-piperidyl}-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acetamide

IUPAC name

N-methyl-2-(3-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-1H4H6H7H-pyrano[43-c]pyrazol-1-yl)acetamide

SMILES

CNC(Cn1nc(C(CC2)CCN2C(Cc2cscc2)=O)c2c1CCOC2)=O

InChI

InChI=1S/C20H26N4O3S/c1-21-18(25)11-24-17-4-8-27-12-16(17)20(22-24)15-2-6-23(7-3-15)19(26)10-14-5-9-28-13-14/h5,9,13,15H,2-4,6-8,10-12H2,1H3,(H,21,25)

InChI Key

HAMNEJJKCLMCPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.701

Distribution Coefficient, logD

0.701

Water Solubility, LogSw

-2.13

Polar Surface Area

64.787

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

S204-0203 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • 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 S204-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S204-0203?
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What is the minimum amount of S204-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S204-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S204-0203
  • 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 S204-0203 available by request