P047-0403 Screening compound: tert-butyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

P047-0403 Screening compound: tert-butyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate
P047-0403 Screening compound: tert-butyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0403
tert-butyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-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

P047-0403

Molecular Formula

C16H22N4O6S (C16 H22 N4 O6 S)

Compound Name

tert-butyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

IUPAC name

tert-butyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H3H-[124]triazolo[43-a]pyridin-2-yl]acetate

SMILES

CC(C)(C)OC(CN1N=C(C=CC(S(N2CCOCC2)(=O)=O)=C2)N2C1=O)=O

InChI

InChI=1S/C16H22N4O6S/c1-16(2,3)26-14(21)11-20-15(22)19-10-12(4-5-13(19)17-20)27(23,24)18-6-8-25-9-7-18/h4-5,10H,6-9,11H2,1-3H3

InChI Key

GPNXJKTXRJCBHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

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

0.698

Distribution Coefficient, logD

0.698

Water Solubility, LogSw

-1.43

Polar Surface Area

91.959

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with P047-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0403?
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What is the minimum amount of P047-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0403
  • 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 P047-0403 available by request