P047-0346 Screening compound: methyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl}furan-2-carboxylate

P047-0346 Screening compound: methyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl}furan-2-carboxylate
P047-0346 Screening compound: methyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl}furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0346
methyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]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

P047-0346

Molecular Formula

C19H22N4O6S (C19 H22 N4 O6 S)

Compound Name

methyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl}furan-2-carboxylate

IUPAC name

methyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2H3H-[124]triazolo[43-a]pyridin-2-yl]methyl}furan-2-carboxylate

SMILES

COC(c1ccc(CN2N=C(C=CC(S(N3CCCCCC3)(=O)=O)=C3)N3C2=O)o1)=O

InChI

InChI=1S/C19H22N4O6S/c1-28-18(24)16-8-6-14(29-16)12-23-19(25)22-13-15(7-9-17(22)20-23)30(26,27)21-10-4-2-3-5-11-21/h6-9,13H,2-5,10-12H2,1H3

InChI Key

SACHFHJKONACRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.43

Polar Surface Area

93.857

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

P047-0346 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P047-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0346?
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What is the minimum amount of P047-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0346
  • 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 P047-0346 available by request