S437-0133 Screening compound: N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

S437-0133 Screening compound: N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
S437-0133 Screening compound: N-[(3-methoxyphenyl)methyl]-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 S437-0133
N-[(3-methoxyphenyl)methyl]-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

S437-0133

Molecular Formula

C15H15N5O3 (C15 H15 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N1)=Cn2nnc(C(NCc3cc(OC)ccc3)=O)c2C1=O

InChI

InChI=1S/C15H15N5O3/c1-9-8-20-13(15(22)17-9)12(18-19-20)14(21)16-7-10-4-3-5-11(6-10)23-2/h3-6,8H,7H2,1-2H3,(H,16,21)(H,17,22)

InChI Key

KJZUBMWTTUXCKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.32

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

0.389

Distribution Coefficient, logD

-0.551

Water Solubility, LogSw

-1.87

Polar Surface Area

82.515

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S437-0133 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with S437-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S437-0133?
Check Price and Availability of S437-0133, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S437-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S437-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S437-0133
  • 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 S437-0133 available by request