K410-0028 Screening compound: 2-bromo-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

K410-0028 Screening compound: 2-bromo-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
K410-0028 Screening compound: 2-bromo-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0028
2-bromo-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

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

K410-0028

Molecular Formula

C16H18BrN3O3S (C16 H18 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)n1nc(CS(C2)(=O)=O)c2c1NC(c(cccc1)c1Br)=O

InChI

InChI=1S/C16H18BrN3O3S/c1-16(2,3)20-14(11-8-24(22,23)9-13(11)19-20)18-15(21)10-6-4-5-7-12(10)17/h4-7H,8-9H2,1-3H3,(H,18,21)

InChI Key

ADQOJXRMLOMNHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.31

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

1.899

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.83

Polar Surface Area

67.668

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K410-0028 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 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
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Others
  • Kinases
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with K410-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0028?
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What is the minimum amount of K410-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0028
  • 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 K410-0028 available by request