P048-2046 Screening compound: ethyl 2-[N-(3,4-difluorophenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

P048-2046 Screening compound: ethyl 2-[N-(3,4-difluorophenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate
P048-2046 Screening compound: ethyl 2-[N-(3,4-difluorophenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-2046
ethyl 2-[N-(3,4-difluorophenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

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

P048-2046

Molecular Formula

C17H16F2N4O4S (C17 H16 F2 N4 O4 S)

Compound Name

ethyl 2-[N-(3,4-difluorophenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

IUPAC name

ethyl 2-[N-(34-difluorophenyl)3-methyl-[124]triazolo[43-a]pyridine-6-sulfonamido]acetate

SMILES

CCOC(CN(c(cc1)cc(F)c1F)S(c(cc1)cn2c1nnc2C)(=O)=O)=O

InChI

InChI=1S/C17H16F2N4O4S/c1-3-27-17(24)10-23(12-4-6-14(18)15(19)8-12)28(25,26)13-5-7-16-21-20-11(2)22(16)9-13/h4-9H,3,10H2,1-2H3

InChI Key

RPGWMKPIVWXPBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.773

Distribution Coefficient, logD

1.773

Water Solubility, LogSw

-2.62

Polar Surface Area

74.503

Acid Dissociation Constant (pKa)

19.87

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

P048-2046 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P048-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-2046?
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What is the minimum amount of P048-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-2046
  • 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 P048-2046 available by request