SA05-1008 Screening compound: N3,N8,8-trimethyl-N7-(3-methylbutyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7,8-dicarboxamide

SA05-1008 Screening compound: N3,N8,8-trimethyl-N7-(3-methylbutyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7,8-dicarboxamide
SA05-1008 Screening compound: N3,N8,8-trimethyl-N7-(3-methylbutyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7,8-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA05-1008
N3,N8,8-trimethyl-N7-(3-methylbutyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7,8-dicarboxamide

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

SA05-1008

Molecular Formula

C15H26N6O2 (C15 H26 N6 O2)

Compound Name

N3,N8,8-trimethyl-N7-(3-methylbutyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7,8-dicarboxamide

IUPAC name

N3N88-trimethyl-N7-(3-methylbutyl)-5H6H7H8H-[124]triazolo[43-a]pyrazine-78-dicarboxamide

SMILES

CC(C)CCNC(N1C(C(N(C)C)=O)c2nnc(C)n2CC1)=O

InChI

InChI=1S/C15H26N6O2/c1-10(2)6-7-16-15(23)21-9-8-20-11(3)17-18-13(20)12(21)14(22)19(4)5/h10,12H,6-9H2,1-5H3,(H,16,23)/t12-/m1/s1

InChI Key

YJTFJGZZBUNZPS-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD32234063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.229

Distribution Coefficient, logD

0.229

Water Solubility, LogSw

-0.95

Polar Surface Area

67.227

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

SA05-1008 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with SA05-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA05-1008?
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What is the minimum amount of SA05-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA05-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA05-1008
  • 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 SA05-1008 available by request