S901-0670 Screening compound: 7-cyclopropanecarbonyl-2-ethyl-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

S901-0670 Screening compound: 7-cyclopropanecarbonyl-2-ethyl-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
S901-0670 Screening compound: 7-cyclopropanecarbonyl-2-ethyl-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 S901-0670
7-cyclopropanecarbonyl-2-ethyl-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

S901-0670

Molecular Formula

C17H20N4O2 (C17 H20 N4 O2)

Compound Name

7-cyclopropanecarbonyl-2-ethyl-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

IUPAC name

7-cyclopropanecarbonyl-2-ethyl-8-phenyl-2H3H5H6H7H8H-[124]triazolo[43-a]pyrazin-3-one

SMILES

CCN1N=C(C(c2ccccc2)N(CC2)C(C3CC3)=O)N2C1=O

InChI

InChI=1S/C17H20N4O2/c1-2-21-17(23)20-11-10-19(16(22)13-8-9-13)14(15(20)18-21)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t14-/m1/s1

InChI Key

DLYQSAYFEDLUBQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31972180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-2.68

Polar Surface Area

48.427

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S901-0670 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S901-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S901-0670?
Check Price and Availability of S901-0670, 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 S901-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S901-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S901-0670
  • 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 S901-0670 available by request