P666-2411 Screening compound: 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

P666-2411 Screening compound: 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
P666-2411 Screening compound: 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-2411
4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

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

P666-2411

Molecular Formula

C16H17FN4O3S (C16 H17 FN4 O3 S)

Compound Name

4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

IUPAC name

4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-1-oxo-1H2H-pyrrolo[12-d][124]triazine-7-sulfonamide

SMILES

CCC(n1c2cc(S(NCc(cccc3)c3F)(=O)=O)c1)=NN(C)C2=O

InChI

InChI=1S/C16H17FN4O3S/c1-3-15-19-20(2)16(22)14-8-12(10-21(14)15)25(23,24)18-9-11-6-4-5-7-13(11)17/h4-8,10,18H,3,9H2,1-2H3

InChI Key

ZSFBFQCRZXEBPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.047

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-2.66

Polar Surface Area

72.992

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P666-2411 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with P666-2411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-2411?
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What is the minimum amount of P666-2411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-2411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-2411
  • 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 P666-2411 available by request