E146-1462 Screening compound: 1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}-1,2,3,4-tetrahydroquinoline

E146-1462 Screening compound: 1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}-1,2,3,4-tetrahydroquinoline
E146-1462 Screening compound: 1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-1462
1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}-1,2,3,4-tetrahydroquinoline

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

E146-1462

Molecular Formula

C21H19N3OS (C21 H19 N3 OS)

Compound Name

1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}-1,2,3,4-tetrahydroquinoline

IUPAC name

1-{1-methyl-1H4H-thiochromeno[43-c]pyrazole-3-carbonyl}-1234-tetrahydroquinoline

SMILES

Cn1nc(C(N(CCC2)c3c2cccc3)=O)c2c1-c(cccc1)c1SC2

InChI

InChI=1S/C21H19N3OS/c1-23-20-15-9-3-5-11-18(15)26-13-16(20)19(22-23)21(25)24-12-6-8-14-7-2-4-10-17(14)24/h2-5,7,9-11H,6,8,12-13H2,1H3

InChI Key

YKLONHDHWKTJBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.99

Polar Surface Area

29.874

Acid Dissociation Constant (pKa)

19.18

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E146-1462 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E146-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-1462?
Check Price and Availability of E146-1462, 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 E146-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-1462
  • 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 E146-1462 available by request