P666-2610 Screening compound: N-[(3,5-difluorophenyl)methyl]-2,4-diethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

P666-2610 Screening compound: N-[(3,5-difluorophenyl)methyl]-2,4-diethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
P666-2610 Screening compound: N-[(3,5-difluorophenyl)methyl]-2,4-diethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-2610
N-[(3,5-difluorophenyl)methyl]-2,4-diethyl-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

P666-2610

Molecular Formula

C17H18F2N4O3S (C17 H18 F2 N4 O3 S)

Compound Name

N-[(3,5-difluorophenyl)methyl]-2,4-diethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

IUPAC name

N-[(35-difluorophenyl)methyl]-24-diethyl-1-oxo-1H2H-pyrrolo[12-d][124]triazine-7-sulfonamide

SMILES

CCC(n1c2cc(S(NCc3cc(F)cc(F)c3)(=O)=O)c1)=NN(CC)C2=O

InChI

InChI=1S/C17H18F2N4O3S/c1-3-16-21-23(4-2)17(24)15-8-14(10-22(15)16)27(25,26)20-9-11-5-12(18)7-13(19)6-11/h5-8,10,20H,3-4,9H2,1-2H3

InChI Key

MPAHEEMKXHKHOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.667

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-2.90

Polar Surface Area

73.038

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P666-2610 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P666-2610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-2610?
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What is the minimum amount of P666-2610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-2610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-2610
  • 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 P666-2610 available by request