P047-0388 Screening compound: ethyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]butanoate

P047-0388 Screening compound: ethyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]butanoate
P047-0388 Screening compound: ethyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0388
ethyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]butanoate

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

P047-0388

Molecular Formula

C16H22N4O6S (C16 H22 N4 O6 S)

Compound Name

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

IUPAC name

ethyl 2-[6-(morpholine-4-sulfonyl)-3-oxo-2H3H-[124]triazolo[43-a]pyridin-2-yl]butanoate

SMILES

CCC(C(OCC)=O)N1N=C(C=CC(S(N2CCOCC2)(=O)=O)=C2)N2C1=O

InChI

InChI=1S/C16H22N4O6S/c1-3-13(15(21)26-4-2)20-16(22)19-11-12(5-6-14(19)17-20)27(23,24)18-7-9-25-10-8-18/h5-6,11,13H,3-4,7-10H2,1-2H3/t13-/m0/s1

InChI Key

SEYXIXGVOXCPBJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD22595536

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

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.121

Distribution Coefficient, logD

1.121

Water Solubility, LogSw

-1.68

Polar Surface Area

91.562

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

P047-0388 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P047-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0388?
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What is the minimum amount of P047-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0388
  • 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 P047-0388 available by request