K410-0191 Screening compound: N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopropanecarboxamide

K410-0191 Screening compound: N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopropanecarboxamide
K410-0191 Screening compound: N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0191
N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopropanecarboxamide

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

K410-0191

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

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

IUPAC name

N-[2-(4-methylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]cyclopropanecarboxamide

SMILES

Cc(cc1)ccc1-n1nc(CS(C2)(=O)=O)c2c1NC(C1CC1)=O

InChI

InChI=1S/C16H17N3O3S/c1-10-2-6-12(7-3-10)19-15(17-16(20)11-4-5-11)13-8-23(21,22)9-14(13)18-19/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20)

InChI Key

PYSOWBUBMITLPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

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

1.756

Distribution Coefficient, logD

1.756

Water Solubility, LogSw

-2.49

Polar Surface Area

67.224

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K410-0191 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K410-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0191?
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What is the minimum amount of K410-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0191
  • 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 K410-0191 available by request