C436-0880 Screening compound: N-(3,4-dimethoxyphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

C436-0880 Screening compound: N-(3,4-dimethoxyphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
C436-0880 Screening compound: N-(3,4-dimethoxyphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-0880
N-(3,4-dimethoxyphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-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

C436-0880

Molecular Formula

C19H26N4O5S (C19 H26 N4 O5 S)

Compound Name

N-(3,4-dimethoxyphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-1-[(35-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

SMILES

Cc([nH]nc1C)c1S(N(CCC1)CC1C(Nc(cc1)cc(OC)c1OC)=O)(=O)=O

InChI

InChI=1S/C19H26N4O5S/c1-12-18(13(2)22-21-12)29(25,26)23-9-5-6-14(11-23)19(24)20-15-7-8-16(27-3)17(10-15)28-4/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,20,24)(H,21,22)/t14-/m0/s1

InChI Key

ZFCTULBVEHREPM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14757795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.861

Distribution Coefficient, logD

0.860

Water Solubility, LogSw

-2.39

Polar Surface Area

94.150

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

C436-0880 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with C436-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-0880?
Check Price and Availability of C436-0880, 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 C436-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-0880
  • 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 C436-0880 available by request