C453-0437 Screening compound: 3-(3,4-dimethoxyphenyl)-1-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide

C453-0437 Screening compound: 3-(3,4-dimethoxyphenyl)-1-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
C453-0437 Screening compound: 3-(3,4-dimethoxyphenyl)-1-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0437
3-(3,4-dimethoxyphenyl)-1-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide

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

C453-0437

Molecular Formula

C29H34N4O3S (C29 H34 N4 O3 S)

Compound Name

3-(3,4-dimethoxyphenyl)-1-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

3-(34-dimethoxyphenyl)-1-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cc1cccc(CN2CCC(CNC(c3cc(c(-c(cc4)cc(OC)c4OC)nn4C)c4s3)=O)CC2)c1

InChI

InChI=1S/C29H34N4O3S/c1-19-6-5-7-21(14-19)18-33-12-10-20(11-13-33)17-30-28(34)26-16-23-27(31-32(2)29(23)37-26)22-8-9-24(35-3)25(15-22)36-4/h5-9,14-16,20H,10-13,17-18H2,1-4H3,(H,30,34)

InChI Key

LRAWENWEDYNSER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-4.68

Polar Surface Area

58.763

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

C453-0437 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 C453-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0437?
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What is the minimum amount of C453-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0437
  • 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 C453-0437 available by request