8020-1615 Screening compound: 4-(4-chlorophenyl)-5-(2-methoxyethyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

8020-1615 Screening compound: 4-(4-chlorophenyl)-5-(2-methoxyethyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
8020-1615 Screening compound: 4-(4-chlorophenyl)-5-(2-methoxyethyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1615
4-(4-chlorophenyl)-5-(2-methoxyethyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

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

8020-1615

Molecular Formula

C18H16ClN3O2S (C18 H16 ClN3 O2 S)

Compound Name

4-(4-chlorophenyl)-5-(2-methoxyethyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-chlorophenyl)-5-(2-methoxyethyl)-3-(thiophen-2-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COCCN(C(c1c2[nH]nc1-c1cccs1)c(cc1)ccc1Cl)C2=O

InChI

InChI=1S/C18H16ClN3O2S/c1-24-9-8-22-17(11-4-6-12(19)7-5-11)14-15(13-3-2-10-25-13)20-21-16(14)18(22)23/h2-7,10,17H,8-9H2,1H3,(H,20,21)/t17-/m1/s1

InChI Key

PAUSFWVOUUAVNI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD12035327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

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

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.61

Polar Surface Area

49.749

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8020-1615 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1615?
Check Price and Availability of 8020-1615, 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 8020-1615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1615
  • 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 8020-1615 available by request