C883-0213 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

C883-0213 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
C883-0213 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0213
N-[3-(4-methylpiperazin-1-yl)propyl]-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

C883-0213

Molecular Formula

C22H28N6O (C22 H28 N6 O)

Compound Name

N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

SMILES

CN1CCN(CCCNC(c2c(-n3cccc3)n(-c3ccccc3)nc2)=O)CC1

InChI

InChI=1S/C22H28N6O/c1-25-14-16-26(17-15-25)11-7-10-23-21(29)20-18-24-28(19-8-3-2-4-9-19)22(20)27-12-5-6-13-27/h2-6,8-9,12-13,18H,7,10-11,14-17H2,1H3,(H,23,29)

InChI Key

RWRGPAGUTMYIAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

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

2.561

Distribution Coefficient, logD

1.411

Water Solubility, LogSw

-2.86

Polar Surface Area

48.809

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C883-0213 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 C883-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0213?
Check Price and Availability of C883-0213, 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 C883-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0213
  • 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 C883-0213 available by request