K410-0049 Screening compound: N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,5-dichlorobenzamide

K410-0049 Screening compound: N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,5-dichlorobenzamide
K410-0049 Screening compound: N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,5-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0049
N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,5-dichlorobenzamide

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

K410-0049

Molecular Formula

C16H17Cl2N3O3S (C16 H17 Cl2 N3 O3 S)

Compound Name

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

IUPAC name

N-{2-tert-butyl-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl}-25-dichlorobenzamide

SMILES

CC(C)(C)n1nc(CS(C2)(=O)=O)c2c1NC(c(cc(cc1)Cl)c1Cl)=O

InChI

InChI=1S/C16H17Cl2N3O3S/c1-16(2,3)21-14(11-7-25(23,24)8-13(11)20-21)19-15(22)10-6-9(17)4-5-12(10)18/h4-6H,7-8H2,1-3H3,(H,19,22)

InChI Key

CIUMCWKOJAWPEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.3

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

2.823

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.71

Polar Surface Area

67.668

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K410-0049 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K410-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0049?
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What is the minimum amount of K410-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0049
  • 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 K410-0049 available by request