C883-0717 Screening compound: 8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

C883-0717 Screening compound: 8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
C883-0717 Screening compound: 8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0717
8-{1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-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

C883-0717

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

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

SMILES

O=C(C(CC1)CCN1C(c1c(-n2cccc2)n(-c2ccccc2)nc1)=O)N(CC1)CCC11OCCO1

InChI

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

InChI Key

BPOWXPMDNSSWEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804918

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

2.581

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-2.87

Polar Surface Area

64.828

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C883-0717 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C883-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0717?
Check Price and Availability of C883-0717, 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 C883-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0717
  • 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 C883-0717 available by request