P048-1495 Screening compound: N-(cyanomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-1495 Screening compound: N-(cyanomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-1495 Screening compound: N-(cyanomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1495
N-(cyanomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[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

P048-1495

Molecular Formula

C17H15N5O4S (C17 H15 N5 O4 S)

Compound Name

N-(cyanomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

IUPAC name

N-(cyanomethyl)-N-(23-dihydro-14-benzodioxin-6-yl)-3-methyl-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

Cc1nnc(cc2)n1cc2S(N(CC#N)c(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C17H15N5O4S/c1-12-19-20-17-5-3-14(11-21(12)17)27(23,24)22(7-6-18)13-2-4-15-16(10-13)26-9-8-25-15/h2-5,10-11H,7-9H2,1H3

InChI Key

GSICPJAYQVYRSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.061

Distribution Coefficient, logD

-0.061

Water Solubility, LogSw

-2.12

Polar Surface Area

87.637

Acid Dissociation Constant (pKa)

20.97

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

P048-1495 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with P048-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1495?
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What is the minimum amount of P048-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1495
  • 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 P048-1495 available by request