K410-0821 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]-3-methylbutanamide

K410-0821 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]-3-methylbutanamide
K410-0821 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]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0821
N~1~-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide

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

K410-0821

Molecular Formula

C18H23N3O3S (C18 H23 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]-3-methylbutanamide

IUPAC name

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

SMILES

CC(C)CC(Nc1c(CS(C2)(=O)=O)c2nn1-c1c(C)cc(C)cc1)=O

InChI

InChI=1S/C18H23N3O3S/c1-11(2)7-17(22)19-18-14-9-25(23,24)10-15(14)20-21(18)16-6-5-12(3)8-13(16)4/h5-6,8,11H,7,9-10H2,1-4H3,(H,19,22)

InChI Key

ONMQRSUWURSMJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

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

3.059

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.39

Polar Surface Area

66.458

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K410-0821 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K410-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0821?
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What is the minimum amount of K410-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0821
  • 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 K410-0821 available by request