C660-0604 Screening compound: 1-methyl-N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide

C660-0604 Screening compound: 1-methyl-N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide
C660-0604 Screening compound: 1-methyl-N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0604
1-methyl-N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide

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

C660-0604

Molecular Formula

C26H30N4O3S (C26 H30 N4 O3 S)

Compound Name

1-methyl-N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-55-dioxo-1H4H-5lambda6-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

Cc1ccc(CN2CCC(CNC(c3nn(C)c(-c4c5cccc4)c3CS5(=O)=O)=O)CC2)cc1

InChI

InChI=1S/C26H30N4O3S/c1-18-7-9-20(10-8-18)16-30-13-11-19(12-14-30)15-27-26(31)24-22-17-34(32,33)23-6-4-3-5-21(23)25(22)29(2)28-24/h3-10,19H,11-17H2,1-2H3,(H,27,31)

InChI Key

RXZLCTYKRIINHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.944

Distribution Coefficient, logD

0.223

Water Solubility, LogSw

-3.74

Polar Surface Area

71.233

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C660-0604 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C660-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0604?
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What is the minimum amount of C660-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0604
  • 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 C660-0604 available by request