K410-0896 Screening compound: 1-(4-chlorophenyl)-N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide

K410-0896 Screening compound: 1-(4-chlorophenyl)-N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide
K410-0896 Screening compound: 1-(4-chlorophenyl)-N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0896
1-(4-chlorophenyl)-N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide

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

K410-0896

Molecular Formula

C25H26ClN3O3S (C25 H26 ClN3 O3 S)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-N-[2-(24-dimethylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]cyclopentane-1-carboxamide

SMILES

Cc(cc1)cc(C)c1-n1nc(CS(C2)(=O)=O)c2c1NC(C1(CCCC1)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H26ClN3O3S/c1-16-5-10-22(17(2)13-16)29-23(20-14-33(31,32)15-21(20)28-29)27-24(30)25(11-3-4-12-25)18-6-8-19(26)9-7-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,27,30)

InChI Key

BXLAEFRCMQCBBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.58

Polar Surface Area

66.687

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K410-0896 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K410-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0896?
Check Price and Availability of K410-0896, 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 K410-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0896
  • 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 K410-0896 available by request