P048-0052 Screening compound: methyl 5-({N-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido}methyl)furan-2-carboxylate

P048-0052 Screening compound: methyl 5-({N-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido}methyl)furan-2-carboxylate
P048-0052 Screening compound: methyl 5-({N-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-0052
methyl 5-({N-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido}methyl)furan-2-carboxylate

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

P048-0052

Molecular Formula

C19H16N4O5S (C19 H16 N4 O5 S)

Compound Name

methyl 5-({N-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamido}methyl)furan-2-carboxylate

IUPAC name

methyl 5-({N-phenyl[124]triazolo[43-a]pyridine-6-sulfonamido}methyl)furan-2-carboxylate

SMILES

COC(c1ccc(CN(c2ccccc2)S(c(cc2)cn3c2nnc3)(=O)=O)o1)=O

InChI

InChI=1S/C19H16N4O5S/c1-27-19(24)17-9-7-15(28-17)11-23(14-5-3-2-4-6-14)29(25,26)16-8-10-18-21-20-13-22(18)12-16/h2-10,12-13H,11H2,1H3

InChI Key

XPEICTYDMQKARM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-2.39

Polar Surface Area

83.753

Acid Dissociation Constant (pKa)

29.84

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with P048-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-0052?
Check Price and Availability of P048-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P048-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-0052
  • 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 P048-0052 available by request