P666-0318 Screening compound: 7-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-0318 Screening compound: 7-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-0318 Screening compound: 7-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-0318
7-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-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

P666-0318

Molecular Formula

C17H18FN5O3S (C17 H18 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)N=Cn2c1cc(S(N(CC1)CCN1c(cccc1)c1F)(=O)=O)c2

InChI

InChI=1S/C17H18FN5O3S/c1-20-17(24)16-10-13(11-22(16)12-19-20)27(25,26)23-8-6-21(7-9-23)15-5-3-2-4-14(15)18/h2-5,10-12H,6-9H2,1H3

InChI Key

MKNPUAROKITEPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.953

Distribution Coefficient, logD

0.953

Water Solubility, LogSw

-2.13

Polar Surface Area

65.965

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with P666-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-0318?
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What is the minimum amount of P666-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-0318
  • 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 P666-0318 available by request