P666-2569 Screening compound: 7-[(4-benzylpiperidin-1-yl)sulfonyl]-2,4-diethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-2569 Screening compound: 7-[(4-benzylpiperidin-1-yl)sulfonyl]-2,4-diethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-2569 Screening compound: 7-[(4-benzylpiperidin-1-yl)sulfonyl]-2,4-diethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-2569
7-[(4-benzylpiperidin-1-yl)sulfonyl]-2,4-diethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-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

P666-2569

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

7-[(4-benzylpiperidin-1-yl)sulfonyl]-2,4-diethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

7-[(4-benzylpiperidin-1-yl)sulfonyl]-24-diethyl-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CCC(n1c2cc(S(N3CCC(Cc4ccccc4)CC3)(=O)=O)c1)=NN(CC)C2=O

InChI

InChI=1S/C22H28N4O3S/c1-3-21-23-26(4-2)22(27)20-15-19(16-25(20)21)30(28,29)24-12-10-18(11-13-24)14-17-8-6-5-7-9-17/h5-9,15-16,18H,3-4,10-14H2,1-2H3

InChI Key

QHBICEBFRIZKHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.74

Polar Surface Area

62.719

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P666-2569 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P666-2569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-2569?
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What is the minimum amount of P666-2569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-2569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-2569
  • 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 P666-2569 available by request