SC45-0654 Screening compound: 2,6-dimethoxy-N~3~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]nicotinamide

SC45-0654 Screening compound: 2,6-dimethoxy-N~3~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]nicotinamide
SC45-0654 Screening compound: 2,6-dimethoxy-N~3~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0654
2,6-dimethoxy-N~3~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]nicotinamide

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

SC45-0654

Molecular Formula

C15H18N6O4 (C15 H18 N6 O4)

Compound Name

2,6-dimethoxy-N~3~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]nicotinamide

IUPAC name

26-dimethoxy-N-({7-methyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)pyridine-3-carboxamide

SMILES

CC1n2nnc(CNC(c(ccc(OC)n3)c3OC)=O)c2CNC1=O

InChI

InChI=1S/C15H18N6O4/c1-8-13(22)17-7-11-10(19-20-21(8)11)6-16-14(23)9-4-5-12(24-2)18-15(9)25-3/h4-5,8H,6-7H2,1-3H3,(H,16,23)(H,17,22)/t8-/m0/s1

InChI Key

SGMIJLACDDWXHO-QMMMGPOBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.402

Distribution Coefficient, logD

0.402

Water Solubility, LogSw

-2.17

Polar Surface Area

100.370

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with SC45-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0654?
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What is the minimum amount of SC45-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0654
  • 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 SC45-0654 available by request