SA05-4216 Screening compound: 7-[(2-chloro-4-fluorophenyl)methyl]-N,N,3-trimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide

SA05-4216 Screening compound: 7-[(2-chloro-4-fluorophenyl)methyl]-N,N,3-trimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide
SA05-4216 Screening compound: 7-[(2-chloro-4-fluorophenyl)methyl]-N,N,3-trimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA05-4216
7-[(2-chloro-4-fluorophenyl)methyl]-N,N,3-trimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide

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

SA05-4216

Molecular Formula

C16H19ClFN5O (C16 H19 ClFN5 O)

Compound Name

7-[(2-chloro-4-fluorophenyl)methyl]-N,N,3-trimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide

IUPAC name

7-[(2-chloro-4-fluorophenyl)methyl]-NN3-trimethyl-5H6H7H8H-[124]triazolo[43-a]pyrazine-8-carboxamide

SMILES

Cc1nnc2n1CCN(Cc(ccc(F)c1)c1Cl)C2C(N(C)C)=O

InChI

InChI=1S/C16H19ClFN5O/c1-10-19-20-15-14(16(24)21(2)3)22(6-7-23(10)15)9-11-4-5-12(18)8-13(11)17/h4-5,8,14H,6-7,9H2,1-3H3/t14-/m1/s1

InChI Key

CIEWZEASUUHLSO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32234344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.81

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

0.972

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-2.55

Polar Surface Area

44.221

Acid Dissociation Constant (pKa)

19.08

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

SA05-4216 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA05-4216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA05-4216?
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What is the minimum amount of SA05-4216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA05-4216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA05-4216
  • 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 SA05-4216 available by request