S437-0208 Screening compound: N-[1-(4-methoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

S437-0208 Screening compound: N-[1-(4-methoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
S437-0208 Screening compound: N-[1-(4-methoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S437-0208
N-[1-(4-methoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

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

S437-0208

Molecular Formula

C16H17N5O3 (C16 H17 N5 O3)

Compound Name

N-[1-(4-methoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

IUPAC name

N-[1-(4-methoxyphenyl)ethyl]-6-methyl-4-oxo-4H5H-[123]triazolo[15-a]pyrazine-3-carboxamide

SMILES

CC(c(cc1)ccc1OC)NC(c1c(C(NC(C)=C2)=O)n2nn1)=O

InChI

InChI=1S/C16H17N5O3/c1-9-8-21-14(16(23)17-9)13(19-20-21)15(22)18-10(2)11-4-6-12(24-3)7-5-11/h4-8,10H,1-3H3,(H,17,23)(H,18,22)/t10-/m0/s1

InChI Key

HAIKEFSCAVFTNM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD29005899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.492

Distribution Coefficient, logD

-0.448

Water Solubility, LogSw

-1.78

Polar Surface Area

81.678

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S437-0208 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 S437-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S437-0208?
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What is the minimum amount of S437-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S437-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S437-0208
  • 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 S437-0208 available by request