SC45-1001 Screening compound: N~2~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-2-pyridinecarboxamide

SC45-1001 Screening compound: N~2~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-2-pyridinecarboxamide
SC45-1001 Screening compound: N~2~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-1001
N~2~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-2-pyridinecarboxamide

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

SC45-1001

Molecular Formula

C20H20N6O2 (C20 H20 N6 O2)

Compound Name

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

IUPAC name

N-({5-benzyl-7-methyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)pyridine-2-carboxamide

SMILES

CC1n2nnc(CNC(c3ncccc3)=O)c2CN(Cc2ccccc2)C1=O

InChI

InChI=1S/C20H20N6O2/c1-14-20(28)25(12-15-7-3-2-4-8-15)13-18-17(23-24-26(14)18)11-22-19(27)16-9-5-6-10-21-16/h2-10,14H,11-13H2,1H3,(H,22,27)/t14-/m0/s1

InChI Key

CPELQUJZCDAEKR-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.863

Distribution Coefficient, logD

0.863

Water Solubility, LogSw

-1.81

Polar Surface Area

76.405

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

SC45-1001 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC45-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-1001?
Check Price and Availability of SC45-1001, 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 SC45-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-1001
  • 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 SC45-1001 available by request