P506-2161 Screening compound: 5-({5-[(azepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

P506-2161 Screening compound: 5-({5-[(azepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
P506-2161 Screening compound: 5-({5-[(azepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P506-2161
5-({5-[(azepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-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

P506-2161

Molecular Formula

C23H26N6O3 (C23 H26 N6 O3)

Compound Name

5-({5-[(azepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2-(4-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

5-({5-[(azepan-1-yl)methyl]-124-oxadiazol-3-yl}methyl)-2-(4-methoxyphenyl)-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

COc(cc1)ccc1-c1nn(C=CN(Cc2noc(CN3CCCCCC3)n2)C2=O)c2c1

InChI

InChI=1S/C23H26N6O3/c1-31-18-8-6-17(7-9-18)19-14-20-23(30)28(12-13-29(20)25-19)15-21-24-22(32-26-21)16-27-10-4-2-3-5-11-27/h6-9,12-14H,2-5,10-11,15-16H2,1H3

InChI Key

BAQLCMJOQQIZHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

2.081

Water Solubility, LogSw

-2.76

Polar Surface Area

72.183

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

P506-2161 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P506-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P506-2161?
Check Price and Availability of P506-2161, 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 P506-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P506-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P506-2161
  • 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 P506-2161 available by request