K410-0439 Screening compound: (Z)-3-(1,3-benzodioxol-5-yl)-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-propenamide

K410-0439 Screening compound: (Z)-3-(1,3-benzodioxol-5-yl)-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-propenamide
K410-0439 Screening compound: (Z)-3-(1,3-benzodioxol-5-yl)-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0439
(Z)-3-(1,3-benzodioxol-5-yl)-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-propenamide

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

K410-0439

Molecular Formula

C21H16ClN3O5S (C21 H16 ClN3 O5 S)

Compound Name

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

IUPAC name

(2Z)-3-(2H-13-benzodioxol-5-yl)-N-[2-(4-chlorophenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]prop-2-enamide

SMILES

O=C(/C=C\c(cc1)cc2c1OCO2)Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C21H16ClN3O5S/c22-14-3-5-15(6-4-14)25-21(16-10-31(27,28)11-17(16)24-25)23-20(26)8-2-13-1-7-18-19(9-13)30-12-29-18/h1-9H,10-12H2,(H,23,26)

InChI Key

BYIPOQJAUMRRQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-4.21

Polar Surface Area

83.603

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K410-0439 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K410-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0439?
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What is the minimum amount of K410-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0439
  • 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 K410-0439 available by request