S854-0395 Screening compound: 2-(CYCLOPROPYLMETHYL)-7-({4-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-5-METHYLISOXAZOL-3-YL}CARBONYL)-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3(2H)-ONE

S854-0395 Screening compound: 2-(CYCLOPROPYLMETHYL)-7-({4-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-5-METHYLISOXAZOL-3-YL}CARBONYL)-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3(2H)-ONE
S854-0395 Screening compound: 2-(CYCLOPROPYLMETHYL)-7-({4-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-5-METHYLISOXAZOL-3-YL}CARBONYL)-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 S854-0395
2-(CYCLOPROPYLMETHYL)-7-({4-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-5-METHYLISOXAZOL-3-YL}CARBONYL)-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

S854-0395

Molecular Formula

C20H25N7O3 (C20 H25 N7 O3)

Compound Name

2-(CYCLOPROPYLMETHYL)-7-({4-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-5-METHYLISOXAZOL-3-YL}CARBONYL)-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3(2H)-ONE

IUPAC name

n/a

SMILES

Cc1cc(C)nn1Cc1c(C)onc1C(N(CCN12)CC2=NN(CC2CC2)C1=O)=O

InChI

InChI=1S/C20H25N7O3/c1-12-8-13(2)26(21-12)10-16-14(3)30-23-18(16)19(28)24-6-7-25-17(11-24)22-27(20(25)29)9-15-4-5-15/h8,15H,4-7,9-11H2,1-3H3

InChI Key

LNCKVWRACNCPNR-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

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.956

Distribution Coefficient, logD

0.956

Water Solubility, LogSw

-1.22

Polar Surface Area

86.065

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with S854-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S854-0395?
Check Price and Availability of S854-0395, 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 S854-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S854-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S854-0395
  • 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 S854-0395 available by request