K410-0075 Screening compound: N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-chlorophenoxy)acetamide

K410-0075 Screening compound: N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-chlorophenoxy)acetamide
K410-0075 Screening compound: N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0075
N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-chlorophenoxy)acetamide

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

K410-0075

Molecular Formula

C17H20ClN3O4S (C17 H20 ClN3 O4 S)

Compound Name

N~1~-[2-(tert-butyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-chlorophenoxy)acetamide

IUPAC name

N-{2-tert-butyl-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl}-2-(4-chlorophenoxy)acetamide

SMILES

CC(C)(C)n1nc(CS(C2)(=O)=O)c2c1NC(COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H20ClN3O4S/c1-17(2,3)21-16(13-9-26(23,24)10-14(13)20-21)19-15(22)8-25-12-6-4-11(18)5-7-12/h4-7H,8-10H2,1-3H3,(H,19,22)

InChI Key

GJUZUIOMNQMDQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.88

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

2.237

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-3.18

Polar Surface Area

74.954

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

K410-0075 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K410-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0075?
Check Price and Availability of K410-0075, 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 K410-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0075
  • 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 K410-0075 available by request