G784-0958 Screening compound: isoquinolin-6-yl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate

G784-0958 Screening compound: isoquinolin-6-yl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
G784-0958 Screening compound: isoquinolin-6-yl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G784-0958
isoquinolin-6-yl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate

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

G784-0958

Molecular Formula

C22H14FN3O2S (C22 H14 FN3 O2 S)

Compound Name

isoquinolin-6-yl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate

IUPAC name

isoquinolin-6-yl 1-(3-fluorophenyl)-3-methyl-1H-thieno[23-c]pyrazole-5-carboxylate

SMILES

Cc(c1c2sc(C(Oc3cc4ccncc4cc3)=O)c1)nn2-c1cc(F)ccc1

InChI

InChI=1S/C22H14FN3O2S/c1-13-19-11-20(29-21(19)26(25-13)17-4-2-3-16(23)10-17)22(27)28-18-6-5-15-12-24-8-7-14(15)9-18/h2-12H,1H3

InChI Key

RQBTYCKCKIFGEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.59

Polar Surface Area

44.637

Acid Dissociation Constant (pKa)

31.97

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

G784-0958 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G784-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G784-0958?
Check Price and Availability of G784-0958, 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 G784-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G784-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G784-0958
  • 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 G784-0958 available by request