C883-0718 Screening compound: 3,5-dimethyl-1-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}piperidine

C883-0718 Screening compound: 3,5-dimethyl-1-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}piperidine
C883-0718 Screening compound: 3,5-dimethyl-1-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0718
3,5-dimethyl-1-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}piperidine

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

C883-0718

Molecular Formula

C27H33N5O2 (C27 H33 N5 O2)

Compound Name

3,5-dimethyl-1-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}piperidine

IUPAC name

35-dimethyl-1-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}piperidine

SMILES

CC(CC(C)C1)CN1C(C(CC1)CCN1C(c1c(-n2cccc2)n(-c2ccccc2)nc1)=O)=O

InChI

InChI=1S/C27H33N5O2/c1-20-16-21(2)19-31(18-20)26(33)22-10-14-30(15-11-22)27(34)24-17-28-32(23-8-4-3-5-9-23)25(24)29-12-6-7-13-29/h3-9,12-13,17,20-22H,10-11,14-16,18-19H2,1-2H3

InChI Key

KIHSQJOUPFUJGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.10

Polar Surface Area

50.258

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

C883-0718 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 Library (10483 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C883-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0718?
Check Price and Availability of C883-0718, 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 C883-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0718
  • 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 C883-0718 available by request