K410-0101 Screening compound: N~1~-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide

K410-0101 Screening compound: N~1~-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide
K410-0101 Screening compound: N~1~-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0101
N~1~-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide

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

K410-0101

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

N~1~-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide

IUPAC name

N-[2-(2-methylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]cyclopentanecarboxamide

SMILES

Cc(cccc1)c1-n1nc(CS(C2)(=O)=O)c2c1NC(C1CCCC1)=O

InChI

InChI=1S/C18H21N3O3S/c1-12-6-2-5-9-16(12)21-17(19-18(22)13-7-3-4-8-13)14-10-25(23,24)11-15(14)20-21/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,19,22)

InChI Key

JBLSNMHPAYNGNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.63

Polar Surface Area

66.958

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K410-0101 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K410-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0101?
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What is the minimum amount of K410-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0101
  • 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 K410-0101 available by request