C453-0172 Screening compound: 4-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine

C453-0172 Screening compound: 4-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine
C453-0172 Screening compound: 4-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0172
4-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine

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

C453-0172

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

4-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine

IUPAC name

4-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine

SMILES

CC(CN(CC1)C(c2cc(c(-c3cc(OC)ccc3)nn3C)c3s2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C26H28N4O2S/c1-17-7-5-9-20(13-17)30-12-11-29(16-18(30)2)25(31)23-15-22-24(27-28(3)26(22)33-23)19-8-6-10-21(14-19)32-4/h5-10,13-15,18H,11-12,16H2,1-4H3/t18-/m0/s1

InChI Key

CBFCHNQWRWTDII-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14759624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

5.172

Water Solubility, LogSw

-5.10

Polar Surface Area

42.027

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

C453-0172 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Kinases Inhibitors Library (36801 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C453-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0172?
Check Price and Availability of C453-0172, 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 C453-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0172
  • 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 C453-0172 available by request