S901-0955 Screening compound: 2-(2-methylpropyl)-8-phenyl-7-(pyrimidine-2-carbonyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

S901-0955 Screening compound: 2-(2-methylpropyl)-8-phenyl-7-(pyrimidine-2-carbonyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
S901-0955 Screening compound: 2-(2-methylpropyl)-8-phenyl-7-(pyrimidine-2-carbonyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S901-0955
2-(2-methylpropyl)-8-phenyl-7-(pyrimidine-2-carbonyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-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

S901-0955

Molecular Formula

C20H22N6O2 (C20 H22 N6 O2)

Compound Name

2-(2-methylpropyl)-8-phenyl-7-(pyrimidine-2-carbonyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

IUPAC name

2-(2-methylpropyl)-8-phenyl-7-(pyrimidine-2-carbonyl)-2H3H5H6H7H8H-[124]triazolo[43-a]pyrazin-3-one

SMILES

CC(C)CN1N=C(C(c2ccccc2)N(CC2)C(c3ncccn3)=O)N2C1=O

InChI

InChI=1S/C20H22N6O2/c1-14(2)13-26-20(28)25-12-11-24(19(27)17-21-9-6-10-22-17)16(18(25)23-26)15-7-4-3-5-8-15/h3-10,14,16H,11-13H2,1-2H3/t16-/m1/s1

InChI Key

NYEAJULVANGMEO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31955465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

2.108

Water Solubility, LogSw

-2.33

Polar Surface Area

67.615

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S901-0955 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S901-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S901-0955?
Check Price and Availability of S901-0955, 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 S901-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S901-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S901-0955
  • 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 S901-0955 available by request