P048-2124 Screening compound: ethyl 2-[N-(3,5-difluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

P048-2124 Screening compound: ethyl 2-[N-(3,5-difluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate
P048-2124 Screening compound: ethyl 2-[N-(3,5-difluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-2124
ethyl 2-[N-(3,5-difluorophenyl)[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

P048-2124

Molecular Formula

C16H14F2N4O4S (C16 H14 F2 N4 O4 S)

Compound Name

ethyl 2-[N-(3,5-difluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

IUPAC name

ethyl 2-[N-(35-difluorophenyl)[124]triazolo[43-a]pyridine-6-sulfonamido]acetate

SMILES

CCOC(CN(c1cc(F)cc(F)c1)S(c(cc1)cn2c1nnc2)(=O)=O)=O

InChI

InChI=1S/C16H14F2N4O4S/c1-2-26-16(23)9-22(13-6-11(17)5-12(18)7-13)27(24,25)14-3-4-15-20-19-10-21(15)8-14/h3-8,10H,2,9H2,1H3

InChI Key

OVHNABWVNYLPOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.37

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

1.853

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-2.61

Polar Surface Area

75.168

Acid Dissociation Constant (pKa)

20.03

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

P048-2124 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 P048-2124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-2124?
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What is the minimum amount of P048-2124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-2124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-2124
  • 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 P048-2124 available by request