K410-0391 Screening compound: 4-bromo-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

K410-0391 Screening compound: 4-bromo-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
K410-0391 Screening compound: 4-bromo-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0391
4-bromo-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

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

K410-0391

Molecular Formula

C18H13BrClN3O3S (C18 H13 BrClN3 O3 S)

Compound Name

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

IUPAC name

4-bromo-N-[2-(4-chlorophenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]benzamide

SMILES

O=C(c(cc1)ccc1Br)Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C18H13BrClN3O3S/c19-12-3-1-11(2-4-12)18(24)21-17-15-9-27(25,26)10-16(15)22-23(17)14-7-5-13(20)6-8-14/h1-8H,9-10H2,(H,21,24)

InChI Key

VCKOUTFJLHEBND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.74

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

3.426

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-4.01

Polar Surface Area

66.701

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K410-0391 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K410-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0391?
Check Price and Availability of K410-0391, 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 K410-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0391
  • 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 K410-0391 available by request