K410-0824 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]-1-cyclohexanecarboxamide

K410-0824 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]-1-cyclohexanecarboxamide
K410-0824 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]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0824
N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide

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

K410-0824

Molecular Formula

C20H25N3O3S (C20 H25 N3 O3 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]-1-cyclohexanecarboxamide

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1-n1nc(CS(C2)(=O)=O)c2c1NC(C1CCCCC1)=O

InChI

InChI=1S/C20H25N3O3S/c1-13-8-9-18(14(2)10-13)23-19(16-11-27(25,26)12-17(16)22-23)21-20(24)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H,21,24)

InChI Key

VWLBYBGZMYCKGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

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

3.498

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.88

Polar Surface Area

66.592

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K410-0824 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K410-0824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0824?
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What is the minimum amount of K410-0824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0824
  • 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 K410-0824 available by request