E016-0317 Screening compound: 5-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

E016-0317 Screening compound: 5-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
E016-0317 Screening compound: 5-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0317
5-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-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

E016-0317

Molecular Formula

C21H26N6O2S (C21 H26 N6 O2 S)

Compound Name

5-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

IUPAC name

5-(2-{[14'-bipiperidin]-1'-yl}-2-oxoethyl)-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

O=C(CN(C(c1c2)=O)N=Cn1nc2-c1cccs1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C21H26N6O2S/c28-20(25-10-6-16(7-11-25)24-8-2-1-3-9-24)14-26-21(29)18-13-17(19-5-4-12-30-19)23-27(18)15-22-26/h4-5,12-13,15-16H,1-3,6-11,14H2

InChI Key

RWCBSQYNRPGDGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.474

Distribution Coefficient, logD

-2.082

Water Solubility, LogSw

-2.32

Polar Surface Area

62.649

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E016-0317 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 E016-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0317?
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What is the minimum amount of E016-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0317
  • 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 E016-0317 available by request