P048-1425 Screening compound: methyl 2-[N-(2H-1,3-benzodioxol-5-yl)3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

P048-1425 Screening compound: methyl 2-[N-(2H-1,3-benzodioxol-5-yl)3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate
P048-1425 Screening compound: methyl 2-[N-(2H-1,3-benzodioxol-5-yl)3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1425
methyl 2-[N-(2H-1,3-benzodioxol-5-yl)3-ethyl-[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

P048-1425

Molecular Formula

C18H18N4O6S (C18 H18 N4 O6 S)

Compound Name

methyl 2-[N-(2H-1,3-benzodioxol-5-yl)3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido]acetate

IUPAC name

methyl 2-[N-(2H-13-benzodioxol-5-yl)3-ethyl-[124]triazolo[43-a]pyridine-6-sulfonamido]acetate

SMILES

CCc1nnc(cc2)n1cc2S(N(CC(OC)=O)c(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C18H18N4O6S/c1-3-16-19-20-17-7-5-13(9-21(16)17)29(24,25)22(10-18(23)26-2)12-4-6-14-15(8-12)28-11-27-14/h4-9H,3,10-11H2,1-2H3

InChI Key

GOIDFOMAOXSCDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.456

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-2.48

Polar Surface Area

92.238

Acid Dissociation Constant (pKa)

19.92

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with P048-1425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1425?
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What is the minimum amount of P048-1425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1425
  • 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 P048-1425 available by request