P706-0558 Screening compound: 1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[(4-chlorophenyl)methyl]-1H-imidazole-4-carboxamide

P706-0558 Screening compound: 1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[(4-chlorophenyl)methyl]-1H-imidazole-4-carboxamide
P706-0558 Screening compound: 1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[(4-chlorophenyl)methyl]-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P706-0558
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[(4-chlorophenyl)methyl]-1H-imidazole-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

P706-0558

Molecular Formula

C22H21ClN6O2 (C22 H21 ClN6 O2)

Compound Name

1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[(4-chlorophenyl)methyl]-1H-imidazole-4-carboxamide

IUPAC name

1-[5-(3-tert-butyl-124-oxadiazol-5-yl)pyridin-2-yl]-N-[(4-chlorophenyl)methyl]-1H-imidazole-4-carboxamide

SMILES

CC(C)(C)c1noc(-c(cc2)cnc2-n2cnc(C(NCc(cc3)ccc3Cl)=O)c2)n1

InChI

InChI=1S/C22H21ClN6O2/c1-22(2,3)21-27-20(31-28-21)15-6-9-18(24-11-15)29-12-17(26-13-29)19(30)25-10-14-4-7-16(23)8-5-14/h4-9,11-13H,10H2,1-3H3,(H,25,30)

InChI Key

PODXIQVXDCQVOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27613120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.88

Polar Surface Area

77.168

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P706-0558 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P706-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P706-0558?
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What is the minimum amount of P706-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P706-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P706-0558
  • 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 P706-0558 available by request