K410-0066 Screening compound: 4-benzoyl-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

K410-0066 Screening compound: 4-benzoyl-N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
K410-0066 Screening compound: 4-benzoyl-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 K410-0066
4-benzoyl-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

K410-0066

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

4-benzoyl-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

4-benzoyl-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(cc1)ccc1C(c1ccccc1)=O)=O

InChI

InChI=1S/C23H23N3O4S/c1-23(2,3)26-21(18-13-31(29,30)14-19(18)25-26)24-22(28)17-11-9-16(10-12-17)20(27)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,24,28)

InChI Key

PIILBODRESJLDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.708

Distribution Coefficient, logD

2.707

Water Solubility, LogSw

-3.28

Polar Surface Area

81.135

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

K410-0066 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

References: we are preparing a list of scientific research reports with K410-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0066?
Check Price and Availability of K410-0066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K410-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0066
  • 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 K410-0066 available by request