P706-0591 Screening compound: 1-{1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carbonyl}-4-(2-methylpropyl)piperazine

P706-0591 Screening compound: 1-{1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carbonyl}-4-(2-methylpropyl)piperazine
P706-0591 Screening compound: 1-{1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carbonyl}-4-(2-methylpropyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P706-0591
1-{1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carbonyl}-4-(2-methylpropyl)piperazine

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

P706-0591

Molecular Formula

C23H31N7O2 (C23 H31 N7 O2)

Compound Name

1-{1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carbonyl}-4-(2-methylpropyl)piperazine

IUPAC name

1-{1-[5-(3-tert-butyl-124-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carbonyl}-4-(2-methylpropyl)piperazine

SMILES

CC(C)CN(CC1)CCN1C(c(nc1)cn1-c(cc1)ncc1-c1nc(C(C)(C)C)no1)=O

InChI

InChI=1S/C23H31N7O2/c1-16(2)13-28-8-10-29(11-9-28)21(31)18-14-30(15-25-18)19-7-6-17(12-24-19)20-26-22(27-32-20)23(3,4)5/h6-7,12,14-16H,8-11,13H2,1-5H3

InChI Key

MKWMGCIEDLUBCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26941135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.78

Polar Surface Area

73.215

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

P706-0591 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

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 P706-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P706-0591?
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What is the minimum amount of P706-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P706-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P706-0591
  • 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 P706-0591 available by request