P048-0259 Screening compound: tert-butyl 2-[N-(3-methylphenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

P048-0259 Screening compound: tert-butyl 2-[N-(3-methylphenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate
P048-0259 Screening compound: tert-butyl 2-[N-(3-methylphenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-0259
tert-butyl 2-[N-(3-methylphenyl)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

P048-0259

Molecular Formula

C20H24N4O4S (C20 H24 N4 O4 S)

Compound Name

tert-butyl 2-[N-(3-methylphenyl)3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

IUPAC name

tert-butyl 2-[N-(3-methylphenyl)3-methyl-[124]triazolo[43-a]pyridine-6-sulfonamido]acetate

SMILES

CC(C)(C)OC(CN(c1cc(C)ccc1)S(c(cc1)cn2c1nnc2C)(=O)=O)=O

InChI

InChI=1S/C20H24N4O4S/c1-14-7-6-8-16(11-14)24(13-19(25)28-20(3,4)5)29(26,27)17-9-10-18-22-21-15(2)23(18)12-17/h6-12H,13H2,1-5H3

InChI Key

FYXOFCBSDFGTKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

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

2.794

Distribution Coefficient, logD

2.794

Water Solubility, LogSw

-3.15

Polar Surface Area

73.612

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P048-0259 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 P048-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-0259?
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What is the minimum amount of P048-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-0259
  • 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 P048-0259 available by request