3920-0050 Screening compound: N3,N5-bis(4-cyclohexylphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide

3920-0050 Screening compound: N3,N5-bis(4-cyclohexylphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
3920-0050 Screening compound: N3,N5-bis(4-cyclohexylphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3920-0050
N3,N5-bis(4-cyclohexylphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide

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

3920-0050

Molecular Formula

C30H36N4O2 (C30 H36 N4 O2)

Compound Name

N3,N5-bis(4-cyclohexylphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide

IUPAC name

N3N5-bis(4-cyclohexylphenyl)-1-methyl-1H-pyrazole-35-dicarboxamide

SMILES

Cn(c(C(Nc1ccc(C2CCCCC2)cc1)=O)c1)nc1C(Nc1ccc(C2CCCCC2)cc1)=O

InChI

InChI=1S/C30H36N4O2/c1-34-28(30(36)32-26-18-14-24(15-19-26)22-10-6-3-7-11-22)20-27(33-34)29(35)31-25-16-12-23(13-17-25)21-8-4-2-5-9-21/h12-22H,2-11H2,1H3,(H,31,35)(H,32,36)

InChI Key

QSHGDDLNFJYVCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.453

Distribution Coefficient, logD

7.452

Water Solubility, LogSw

-5.52

Polar Surface Area

59.778

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

3920-0050 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3920-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3920-0050?
Check Price and Availability of 3920-0050, 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 3920-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3920-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3920-0050
  • 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 3920-0050 available by request