K410-0780 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]-3,5-dimethylbenzamide

K410-0780 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]-3,5-dimethylbenzamide
K410-0780 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]-3,5-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0780
N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide

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

K410-0780

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 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]-3,5-dimethylbenzamide

IUPAC name

N-[2-(23-dimethylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]-35-dimethylbenzamide

SMILES

Cc1cc(C(Nc2c(CS(C3)(=O)=O)c3nn2-c2c(C)c(C)ccc2)=O)cc(C)c1

InChI

InChI=1S/C22H23N3O3S/c1-13-8-14(2)10-17(9-13)22(26)23-21-18-11-29(27,28)12-19(18)24-25(21)20-7-5-6-15(3)16(20)4/h5-10H,11-12H2,1-4H3,(H,23,26)

InChI Key

BGDRLSKDAYXJQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

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

3.887

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-4.04

Polar Surface Area

66.400

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K410-0780 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)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K410-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0780?
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What is the minimum amount of K410-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0780
  • 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 K410-0780 available by request