C883-0867 Screening compound: 8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

C883-0867 Screening compound: 8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
C883-0867 Screening compound: 8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0867
8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

C883-0867

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(C(CCC1)CN1C(c1c(-n2cccc2)n(-c2ccccc2)nc1)=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C27H31N5O4/c33-25(30-15-10-27(11-16-30)35-17-18-36-27)21-7-6-14-31(20-21)26(34)23-19-28-32(22-8-2-1-3-9-22)24(23)29-12-4-5-13-29/h1-5,8-9,12-13,19,21H,6-7,10-11,14-18,20H2/t21-/m0/s1

InChI Key

VRWUZBRHLCIZSV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14804999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-2.90

Polar Surface Area

64.762

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C883-0867 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C883-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0867?
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What is the minimum amount of C883-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0867
  • 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 C883-0867 available by request