C883-0564 Screening compound: N-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-3-METHYL-1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXAMIDE

C883-0564 Screening compound: N-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-3-METHYL-1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXAMIDE
C883-0564 Screening compound: N-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-3-METHYL-1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0564
N-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-3-METHYL-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

C883-0564

Molecular Formula

C28H32N6O (C28 H32 N6 O)

Compound Name

N-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-3-METHYL-1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCN1CCN(Cc(cc2)ccc2NC(c2c(-n3cccc3)n(-c3ccccc3)nc2C)=O)CC1

InChI

InChI=1S/C28H32N6O/c1-3-31-17-19-32(20-18-31)21-23-11-13-24(14-12-23)29-27(35)26-22(2)30-34(25-9-5-4-6-10-25)28(26)33-15-7-8-16-33/h4-16H,3,17-21H2,1-2H3,(H,29,35)

InChI Key

OJVHRJLEYSSNPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-4.20

Polar Surface Area

47.809

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C883-0564 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C883-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0564?
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What is the minimum amount of C883-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0564
  • 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 C883-0564 available by request