P666-1668 Screening compound: 2-ethyl-4-methyl-7-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-1668 Screening compound: 2-ethyl-4-methyl-7-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-1668 Screening compound: 2-ethyl-4-methyl-7-{[4-(4-methylphenyl)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 P666-1668
2-ethyl-4-methyl-7-{[4-(4-methylphenyl)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

P666-1668

Molecular Formula

C20H25N5O3S (C20 H25 N5 O3 S)

Compound Name

2-ethyl-4-methyl-7-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

2-ethyl-4-methyl-7-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CCN(C1=O)N=C(C)n2c1cc(S(N(CC1)CCN1c1ccc(C)cc1)(=O)=O)c2

InChI

InChI=1S/C20H25N5O3S/c1-4-25-20(26)19-13-18(14-24(19)16(3)21-25)29(27,28)23-11-9-22(10-12-23)17-7-5-15(2)6-8-17/h5-8,13-14H,4,9-12H2,1-3H3

InChI Key

DPHPVKCQPGMCKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-2.64

Polar Surface Area

65.159

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with P666-1668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1668?
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What is the minimum amount of P666-1668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1668
  • 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 P666-1668 available by request