SA05-0980 Screening compound: N~8~,N~8~,3-trimethyl-7-[(5-methyl-2-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide

SA05-0980 Screening compound: N~8~,N~8~,3-trimethyl-7-[(5-methyl-2-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide
SA05-0980 Screening compound: N~8~,N~8~,3-trimethyl-7-[(5-methyl-2-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA05-0980
N~8~,N~8~,3-trimethyl-7-[(5-methyl-2-pyridyl)methyl]-5,6,7,8-tetrahydro[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

SA05-0980

Molecular Formula

C16H22N6O (C16 H22 N6 O)

Compound Name

N~8~,N~8~,3-trimethyl-7-[(5-methyl-2-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-8-carboxamide

IUPAC name

NN3-trimethyl-7-[(5-methylpyridin-2-yl)methyl]-5H6H7H8H-[124]triazolo[43-a]pyrazine-8-carboxamide

SMILES

Cc1nnc2n1CCN(Cc1ncc(C)cc1)C2C(N(C)C)=O

InChI

InChI=1S/C16H22N6O/c1-11-5-6-13(17-9-11)10-21-7-8-22-12(2)18-19-15(22)14(21)16(23)20(3)4/h5-6,9,14H,7-8,10H2,1-4H3/t14-/m1/s1

InChI Key

JCEKXNNIBUAGJB-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.309

Distribution Coefficient, logD

-0.558

Water Solubility, LogSw

-1.23

Polar Surface Area

53.854

Acid Dissociation Constant (pKa)

19.47

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA05-0980 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA05-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA05-0980?
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What is the minimum amount of SA05-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA05-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA05-0980
  • 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 SA05-0980 available by request