K410-0050 Screening compound: 5-bromo-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-chlorobenzamide

K410-0050 Screening compound: 5-bromo-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-chlorobenzamide
K410-0050 Screening compound: 5-bromo-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0050
5-bromo-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-chlorobenzamide

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

K410-0050

Molecular Formula

C16H17BrClN3O3S (C16 H17 BrClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H17BrClN3O3S/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

NTELFLPOMGTTEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.75

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

3.020

Distribution Coefficient, logD

2.994

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

K410-0050 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with K410-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0050?
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What is the minimum amount of K410-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0050
  • 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 K410-0050 available by request