K410-0796 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide

K410-0796 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
K410-0796 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0796
N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide

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

K410-0796

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

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

IUPAC name

N-[2-(23-dimethylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]-2-phenoxyacetamide

SMILES

Cc1cccc(-n2nc(CS(C3)(=O)=O)c3c2NC(COc2ccccc2)=O)c1C

InChI

InChI=1S/C21H21N3O4S/c1-14-7-6-10-19(15(14)2)24-21(17-12-29(26,27)13-18(17)23-24)22-20(25)11-28-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,22,25)

InChI Key

BOESTSKYTMILSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.45

Polar Surface Area

73.686

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K410-0796 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K410-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0796?
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What is the minimum amount of K410-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0796
  • 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 K410-0796 available by request