P666-2558 Screening compound: 2,4-diethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-2558 Screening compound: 2,4-diethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-2558 Screening compound: 2,4-diethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-2558
2,4-diethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-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

P666-2558

Molecular Formula

C21H27N5O4S (C21 H27 N5 O4 S)

Compound Name

2,4-diethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

24-diethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CCC(n1c2cc(S(N(CC3)CCN3c3cc(OC)ccc3)(=O)=O)c1)=NN(CC)C2=O

InChI

InChI=1S/C21H27N5O4S/c1-4-20-22-26(5-2)21(27)19-14-18(15-25(19)20)31(28,29)24-11-9-23(10-12-24)16-7-6-8-17(13-16)30-3/h6-8,13-15H,4-5,9-12H2,1-3H3

InChI Key

PJVMWFMQNOQTRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-2.65

Polar Surface Area

73.795

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with P666-2558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-2558?
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What is the minimum amount of P666-2558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-2558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-2558
  • 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 P666-2558 available by request