S854-0569 Screening compound: 7-({5-methyl-4-[(4-methylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one

S854-0569 Screening compound: 7-({5-methyl-4-[(4-methylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
S854-0569 Screening compound: 7-({5-methyl-4-[(4-methylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S854-0569
7-({5-methyl-4-[(4-methylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one

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

S854-0569

Molecular Formula

C21H25N5O4 (C21 H25 N5 O4)

Compound Name

7-({5-methyl-4-[(4-methylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one

IUPAC name

n/a

SMILES

CCCN1N=C(CN(CC2)C(c3noc(C)c3COc3ccc(C)cc3)=O)N2C1=O

InChI

InChI=1S/C21H25N5O4/c1-4-9-26-21(28)25-11-10-24(12-18(25)22-26)20(27)19-17(15(3)30-23-19)13-29-16-7-5-14(2)6-8-16/h5-8H,4,9-13H2,1-3H3

InChI Key

KZNXDKIUPLYIAB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-2.86

Polar Surface Area

79.284

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with S854-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S854-0569?
Check Price and Availability of S854-0569, 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 S854-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S854-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S854-0569
  • 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 S854-0569 available by request