P666-1231 Screening compound: 7-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-1231 Screening compound: 7-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-1231 Screening compound: 7-{[4-(4-fluorophenyl)piperazin-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 P666-1231
7-{[4-(4-fluorophenyl)piperazin-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

P666-1231

Molecular Formula

C17H18FN5O3S (C17 H18 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(n1c2cc(S(N(CC3)CCN3c(cc3)ccc3F)(=O)=O)c1)=NNC2=O

InChI

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

InChI Key

KSLYBBDGLXWURB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.589

Distribution Coefficient, logD

1.587

Water Solubility, LogSw

-2.60

Polar Surface Area

74.326

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P666-1231 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P666-1231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1231?
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What is the minimum amount of P666-1231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1231
  • 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 P666-1231 available by request