S437-0126 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

S437-0126 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
S437-0126 Screening compound: N-[2-(cyclohex-1-en-1-yl)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 S437-0126
N-[2-(cyclohex-1-en-1-yl)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

S437-0126

Molecular Formula

C15H19N5O2 (C15 H19 N5 O2)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-4-oxo-4H5H-[123]triazolo[15-a]pyrazine-3-carboxamide

SMILES

CC(N1)=Cn2nnc(C(NCCC3=CCCCC3)=O)c2C1=O

InChI

InChI=1S/C15H19N5O2/c1-10-9-20-13(15(22)17-10)12(18-19-20)14(21)16-8-7-11-5-3-2-4-6-11/h5,9H,2-4,6-8H2,1H3,(H,16,21)(H,17,22)

InChI Key

UXAPKVBASDTWCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22619372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.596

Distribution Coefficient, logD

-0.344

Water Solubility, LogSw

-1.43

Polar Surface Area

75.005

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

S437-0126 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 S437-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S437-0126?
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What is the minimum amount of S437-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S437-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S437-0126
  • 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 S437-0126 available by request