P047-0235 Screening compound: ethyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

P047-0235 Screening compound: ethyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate
P047-0235 Screening compound: ethyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0235
ethyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]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

P047-0235

Molecular Formula

C19H20N4O5S (C19 H20 N4 O5 S)

Compound Name

ethyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

IUPAC name

ethyl 2-[3-oxo-6-(1234-tetrahydroisoquinoline-2-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-2-yl]acetate

SMILES

CCOC(CN1N=C(C=CC(S(N(CC2)Cc3c2cccc3)(=O)=O)=C2)N2C1=O)=O

InChI

InChI=1S/C19H20N4O5S/c1-2-28-18(24)13-23-19(25)22-12-16(7-8-17(22)20-23)29(26,27)21-10-9-14-5-3-4-6-15(14)11-21/h3-8,12H,2,9-11,13H2,1H3

InChI Key

HBTSDBMPJVAZOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.41

Polar Surface Area

84.603

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with P047-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0235?
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What is the minimum amount of P047-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0235
  • 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 P047-0235 available by request