CM4221-3166 Screening compound: 1-[3-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-2-pyrrolidinyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone

CM4221-3166 Screening compound: 1-[3-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-2-pyrrolidinyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone
CM4221-3166 Screening compound: 1-[3-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-2-pyrrolidinyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4221-3166
1-[3-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-2-pyrrolidinyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone

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

CM4221-3166

Molecular Formula

C18H20F3N5O3S (C18 H20 F3 N5 O3 S)

Compound Name

1-[3-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-2-pyrrolidinyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone

IUPAC name

n/a

SMILES

CC(N1Cc2nnc(C(CCC3)N3S(c3c(C(F)(F)F)cccc3)(=O)=O)n2CC1)=O

InChI

InChI=1S/C18H20F3N5O3S/c1-12(27)24-9-10-25-16(11-24)22-23-17(25)14-6-4-8-26(14)30(28,29)15-7-3-2-5-13(15)18(19,20)21/h2-3,5,7,14H,4,6,8-11H2,1H3/t14-/m0/s1

InChI Key

CBOUOYYGJHAZFV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30458724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.178

Distribution Coefficient, logD

1.178

Water Solubility, LogSw

-2.35

Polar Surface Area

74.608

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

CM4221-3166 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 CM4221-3166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4221-3166?
Check Price and Availability of CM4221-3166, 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 CM4221-3166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4221-3166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4221-3166
  • 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 CM4221-3166 available by request