C883-0563 Screening compound: 3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

C883-0563 Screening compound: 3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
C883-0563 Screening compound: 3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0563
3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-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

C883-0563

Molecular Formula

C28H31N5O (C28 H31 N5 O)

Compound Name

3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

IUPAC name

3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

SMILES

CC1CCN(Cc(cc2)ccc2NC(c2c(-n3cccc3)n(-c3ccccc3)nc2C)=O)CC1

InChI

InChI=1S/C28H31N5O/c1-21-14-18-31(19-15-21)20-23-10-12-24(13-11-23)29-27(34)26-22(2)30-33(25-8-4-3-5-9-25)28(26)32-16-6-7-17-32/h3-13,16-17,21H,14-15,18-20H2,1-2H3,(H,29,34)

InChI Key

RHNPHZLYZLDCIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-4.63

Polar Surface Area

44.272

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C883-0563 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C883-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0563?
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What is the minimum amount of C883-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0563
  • 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 C883-0563 available by request