P767-0271 Screening compound: 1-[4-(3-{1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazol-5-yl}-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethan-1-one

P767-0271 Screening compound: 1-[4-(3-{1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazol-5-yl}-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethan-1-one
P767-0271 Screening compound: 1-[4-(3-{1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazol-5-yl}-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P767-0271
1-[4-(3-{1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazol-5-yl}-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethan-1-one

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

P767-0271

Molecular Formula

C22H28N6O2 (C22 H28 N6 O2)

Compound Name

1-[4-(3-{1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazol-5-yl}-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethan-1-one

IUPAC name

1-[4-(3-{1-[2-(pyrrolidin-1-yl)ethyl]-1H-13-benzodiazol-5-yl}-124-oxadiazol-5-yl)piperidin-1-yl]ethan-1-one

SMILES

CC(N(CC1)CCC1c1nc(-c(cc2)cc3c2n(CCN2CCCC2)cn3)no1)=O

InChI

InChI=1S/C22H28N6O2/c1-16(29)27-10-6-17(7-11-27)22-24-21(25-30-22)18-4-5-20-19(14-18)23-15-28(20)13-12-26-8-2-3-9-26/h4-5,14-15,17H,2-3,6-13H2,1H3

InChI Key

HULHGRBDMHERLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-2.71

Polar Surface Area

63.544

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

P767-0271 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 P767-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P767-0271?
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What is the minimum amount of P767-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P767-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P767-0271
  • 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 P767-0271 available by request