S901-0849 Screening compound: 7-(2,5-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

S901-0849 Screening compound: 7-(2,5-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
S901-0849 Screening compound: 7-(2,5-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-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 S901-0849
7-(2,5-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-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

S901-0849

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

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

IUPAC name

7-(25-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-2H3H5H6H7H8H-[124]triazolo[43-a]pyrazin-3-one

SMILES

CC(C)CN1N=C(C(c2ccccc2)N(CC2)C(c3c(C)oc(C)c3)=O)N2C1=O

InChI

InChI=1S/C22H26N4O3/c1-14(2)13-26-22(28)25-11-10-24(21(27)18-12-15(3)29-16(18)4)19(20(25)23-26)17-8-6-5-7-9-17/h5-9,12,14,19H,10-11,13H2,1-4H3/t19-/m1/s1

InChI Key

HRXIOWJBZZNCTB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31956586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.23

Polar Surface Area

55.926

Acid Dissociation Constant (pKa)

17.52

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S901-0849 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 S901-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S901-0849?
Check Price and Availability of S901-0849, 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 S901-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S901-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S901-0849
  • 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 S901-0849 available by request