CM4439-1882 Screening compound: 2-(cyclopropylmethyl)-7-[2-(trifluoromethyl)benzenesulfonyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

CM4439-1882 Screening compound: 2-(cyclopropylmethyl)-7-[2-(trifluoromethyl)benzenesulfonyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CM4439-1882 Screening compound: 2-(cyclopropylmethyl)-7-[2-(trifluoromethyl)benzenesulfonyl]-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 CM4439-1882
2-(cyclopropylmethyl)-7-[2-(trifluoromethyl)benzenesulfonyl]-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

CM4439-1882

Molecular Formula

C16H17F3N4O3S (C16 H17 F3 N4 O3 S)

Compound Name

2-(cyclopropylmethyl)-7-[2-(trifluoromethyl)benzenesulfonyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

IUPAC name

2-(cyclopropylmethyl)-7-[2-(trifluoromethyl)benzenesulfonyl]-2H3H5H6H7H8H-[124]triazolo[43-a]pyrazin-3-one

SMILES

O=C1N(CCN(C2)S(c3c(C(F)(F)F)cccc3)(=O)=O)C2=NN1CC1CC1

InChI

InChI=1S/C16H17F3N4O3S/c17-16(18,19)12-3-1-2-4-13(12)27(25,26)21-7-8-22-14(10-21)20-23(15(22)24)9-11-5-6-11/h1-4,11H,5-10H2

InChI Key

WVZCHGOVCWTQEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.694

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-3.28

Polar Surface Area

65.160

Acid Dissociation Constant (pKa)

20.76

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

CM4439-1882 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM4439-1882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4439-1882?
Check Price and Availability of CM4439-1882, 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 CM4439-1882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4439-1882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4439-1882
  • 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 CM4439-1882 available by request