K410-0785 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide

K410-0785 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
K410-0785 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0785
N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide

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

K410-0785

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

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

IUPAC name

N-[2-(23-dimethylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]-23-dimethoxybenzamide

SMILES

Cc1cccc(-n2nc(CS(C3)(=O)=O)c3c2NC(c(cccc2OC)c2OC)=O)c1C

InChI

InChI=1S/C22H23N3O5S/c1-13-7-5-9-18(14(13)2)25-21(16-11-31(27,28)12-17(16)24-25)23-22(26)15-8-6-10-19(29-3)20(15)30-4/h5-10H,11-12H2,1-4H3,(H,23,26)

InChI Key

WTBJWXNCTOULKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-3.70

Polar Surface Area

81.748

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K410-0785 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K410-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0785?
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What is the minimum amount of K410-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0785
  • 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 K410-0785 available by request