SC25-1122 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

SC25-1122 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
SC25-1122 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC25-1122
3,4-dihydro-2(1H)-isoquinolinyl[3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

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

SC25-1122

Molecular Formula

C20H20N6O (C20 H20 N6 O)

Compound Name

3,4-dihydro-2(1H)-isoquinolinyl[3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

IUPAC name

2-[3-(pyrazin-2-yl)-5H6H7H8H-[124]triazolo[43-a]pyridine-8-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(C1c2nnc(-c3nccnc3)n2CCC1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C20H20N6O/c27-20(25-11-7-14-4-1-2-5-15(14)13-25)16-6-3-10-26-18(16)23-24-19(26)17-12-21-8-9-22-17/h1-2,4-5,8-9,12,16H,3,6-7,10-11,13H2/t16-/m1/s1

InChI Key

CKEWCLJPPUCESM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32258828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.343

Distribution Coefficient, logD

1.343

Water Solubility, LogSw

-1.35

Polar Surface Area

58.824

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SC25-1122 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC25-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC25-1122?
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What is the minimum amount of SC25-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC25-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC25-1122
  • 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 SC25-1122 available by request