P666-1114 Screening compound: 7-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-1114 Screening compound: 7-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-1114 Screening compound: 7-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-1114
7-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-4-methyl-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

P666-1114

Molecular Formula

C17H25N5O3S (C17 H25 N5 O3 S)

Compound Name

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

IUPAC name

7-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-4-methyl-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CC(n1c2cc(S(N(CC3)CCN3C3CCCCC3)(=O)=O)c1)=NNC2=O

InChI

InChI=1S/C17H25N5O3S/c1-13-18-19-17(23)16-11-15(12-22(13)16)26(24,25)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3,(H,19,23)

InChI Key

TUNVTTAUOSPSDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.378

Water Solubility, LogSw

-2.29

Polar Surface Area

74.159

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

P666-1114 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P666-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1114?
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What is the minimum amount of P666-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1114
  • 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 P666-1114 available by request