E146-1447 Screening compound: 1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}pyrrolidine

E146-1447 Screening compound: 1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}pyrrolidine
E146-1447 Screening compound: 1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-1447
1-{1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}pyrrolidine

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

E146-1447

Molecular Formula

C16H17N3OS (C16 H17 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(C(N2CCCC2)=O)c2c1-c(cccc1)c1SC2

InChI

InChI=1S/C16H17N3OS/c1-18-15-11-6-2-3-7-13(11)21-10-12(15)14(17-18)16(20)19-8-4-5-9-19/h2-3,6-7H,4-5,8-10H2,1H3

InChI Key

DUDJABWKDFJCPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.4

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

2.233

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.68

Polar Surface Area

31.576

Acid Dissociation Constant (pKa)

19.18

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E146-1447 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E146-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-1447?
Check Price and Availability of E146-1447, 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 E146-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-1447
  • 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 E146-1447 available by request