K410-0868 Screening compound: N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide

K410-0868 Screening compound: N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
K410-0868 Screening compound: N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0868
N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide

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

K410-0868

Molecular Formula

C21H20N4O5S (C21 H20 N4 O5 S)

Compound Name

N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide

IUPAC name

N-[2-(24-dimethylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide

SMILES

Cc(cc1)cc(C)c1-n1nc(CS(C2)(=O)=O)c2c1NC(c1cc([N+]([O-])=O)c(C)cc1)=O

InChI

InChI=1S/C21H20N4O5S/c1-12-4-7-18(14(3)8-12)24-20(16-10-31(29,30)11-17(16)23-24)22-21(26)15-6-5-13(2)19(9-15)25(27)28/h4-9H,10-11H2,1-3H3,(H,22,26)

InChI Key

RYKWOUVLSAPLCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-4.01

Polar Surface Area

99.481

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K410-0868 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K410-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0868?
Check Price and Availability of K410-0868, 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 K410-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0868
  • 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 K410-0868 available by request