SC25-0588 Screening compound: 3-phenyl-N-(3-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

SC25-0588 Screening compound: 3-phenyl-N-(3-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SC25-0588 Screening compound: 3-phenyl-N-(3-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC25-0588
3-phenyl-N-(3-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-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

SC25-0588

Molecular Formula

C18H18N4OS (C18 H18 N4 OS)

Compound Name

3-phenyl-N-(3-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

IUPAC name

3-phenyl-N-[(thiophen-3-yl)methyl]-5H6H7H8H-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

O=C(C1c2nnc(-c3ccccc3)n2CCC1)NCc1cscc1

InChI

InChI=1S/C18H18N4OS/c23-18(19-11-13-8-10-24-12-13)15-7-4-9-22-16(20-21-17(15)22)14-5-2-1-3-6-14/h1-3,5-6,8,10,12,15H,4,7,9,11H2,(H,19,23)/t15-/m1/s1

InChI Key

WAPVZWALUVIEQO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32256682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.60

Polar Surface Area

49.380

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

SC25-0588 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 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 SC25-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC25-0588?
Check Price and Availability of SC25-0588, 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 SC25-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC25-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC25-0588
  • 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 SC25-0588 available by request