K409-0052 Screening compound: (2Z)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide

K409-0052 Screening compound: (2Z)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
K409-0052 Screening compound: (2Z)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K409-0052
(2Z)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide

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

K409-0052

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

(2Z)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide

IUPAC name

(2Z)-3-(34-dimethoxyphenyl)-N-[2-(4-methylphenyl)-2H4H6H-thieno[34-c]pyrazol-3-yl]prop-2-enamide

SMILES

Cc(cc1)ccc1-n1nc(CSC2)c2c1NC(/C=C\c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H23N3O3S/c1-15-4-8-17(9-5-15)26-23(18-13-30-14-19(18)25-26)24-22(27)11-7-16-6-10-20(28-2)21(12-16)29-3/h4-12H,13-14H2,1-3H3,(H,24,27)

InChI Key

FMKCTDLDWNGXTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-4.45

Polar Surface Area

53.678

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K409-0052 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K409-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K409-0052?
Check Price and Availability of K409-0052, 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 K409-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K409-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K409-0052
  • 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 K409-0052 available by request