V020-8546 Screening compound: 2-(1,4'-bipiperidin-1'-ylcarbonyl)-5-(3,5-dimethoxybenzyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one

V020-8546 Screening compound: 2-(1,4'-bipiperidin-1'-ylcarbonyl)-5-(3,5-dimethoxybenzyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
V020-8546 Screening compound: 2-(1,4'-bipiperidin-1'-ylcarbonyl)-5-(3,5-dimethoxybenzyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8546
2-(1,4'-bipiperidin-1'-ylcarbonyl)-5-(3,5-dimethoxybenzyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-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

V020-8546

Molecular Formula

C26H35N5O4 (C26 H35 N5 O4)

Compound Name

2-(1,4'-bipiperidin-1'-ylcarbonyl)-5-(3,5-dimethoxybenzyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one

IUPAC name

2-{[14'-bipiperidine]-1'-carbonyl}-5-[(35-dimethoxyphenyl)methyl]-4H5H6H7H-pyrazolo[15-a]pyrazin-4-one

SMILES

COc1cc(CN(CCn(c2c3)nc3C(N(CC3)CCC3N3CCCCC3)=O)C2=O)cc(OC)c1

InChI

InChI=1S/C26H35N5O4/c1-34-21-14-19(15-22(16-21)35-2)18-30-12-13-31-24(26(30)33)17-23(27-31)25(32)29-10-6-20(7-11-29)28-8-4-3-5-9-28/h14-17,20H,3-13,18H2,1-2H3

InChI Key

AOFFITSDDOWUKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19940224

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.6

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

2.247

Distribution Coefficient, logD

-1.192

Water Solubility, LogSw

-2.37

Polar Surface Area

64.880

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.69

V020-8546 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 V020-8546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8546?
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What is the minimum amount of V020-8546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8546
  • 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 V020-8546 available by request