S204-0183 Screening compound: N~1~-methyl-2-[3-[1-(3-methylbenzoyl)-4-piperidyl]-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acetamide

S204-0183 Screening compound: N~1~-methyl-2-[3-[1-(3-methylbenzoyl)-4-piperidyl]-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acetamide
S204-0183 Screening compound: N~1~-methyl-2-[3-[1-(3-methylbenzoyl)-4-piperidyl]-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S204-0183
N~1~-methyl-2-[3-[1-(3-methylbenzoyl)-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

S204-0183

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(N(CC2)CCC2c2nn(CC(NC)=O)c3c2COCC3)=O)c1

InChI

InChI=1S/C22H28N4O3/c1-15-4-3-5-17(12-15)22(28)25-9-6-16(7-10-25)21-18-14-29-11-8-19(18)26(24-21)13-20(27)23-2/h3-5,12,16H,6-11,13-14H2,1-2H3,(H,23,27)

InChI Key

BQWVHJOQBJRRIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.957

Distribution Coefficient, logD

0.957

Water Solubility, LogSw

-2.06

Polar Surface Area

64.296

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S204-0183 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S204-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S204-0183?
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What is the minimum amount of S204-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S204-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S204-0183
  • 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 S204-0183 available by request