P048-1372 Screening compound: N~6~-(1,3-benzodioxol-5-yl)-N~6~-(3,5-difluorobenzyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-1372 Screening compound: N~6~-(1,3-benzodioxol-5-yl)-N~6~-(3,5-difluorobenzyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-1372 Screening compound: N~6~-(1,3-benzodioxol-5-yl)-N~6~-(3,5-difluorobenzyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1372
N~6~-(1,3-benzodioxol-5-yl)-N~6~-(3,5-difluorobenzyl)[1,2,4]triazolo[4,3-a]pyridine-6-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

P048-1372

Molecular Formula

C20H14F2N4O4S (C20 H14 F2 N4 O4 S)

Compound Name

N~6~-(1,3-benzodioxol-5-yl)-N~6~-(3,5-difluorobenzyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-N-[(35-difluorophenyl)methyl]-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

O=S(c(cc1)cn2c1nnc2)(N(Cc1cc(F)cc(F)c1)c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H14F2N4O4S/c21-14-5-13(6-15(22)7-14)9-26(16-1-3-18-19(8-16)30-12-29-18)31(27,28)17-2-4-20-24-23-11-25(20)10-17/h1-8,10-11H,9,12H2

InChI Key

SLNVYWBTMLKCSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.48

Polar Surface Area

71.853

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P048-1372 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P048-1372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1372?
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What is the minimum amount of P048-1372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1372
  • 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 P048-1372 available by request