G857-0812 Screening compound: N-[2-(4-fluorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-N'-[(4-methylphenyl)methyl]ethanediamide

G857-0812 Screening compound: N-[2-(4-fluorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-N'-[(4-methylphenyl)methyl]ethanediamide
G857-0812 Screening compound: N-[2-(4-fluorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-N'-[(4-methylphenyl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0812
N-[2-(4-fluorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-N'-[(4-methylphenyl)methyl]ethanediamide

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

G857-0812

Molecular Formula

C21H19FN4O2S (C21 H19 FN4 O2 S)

Compound Name

N-[2-(4-fluorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-N'-[(4-methylphenyl)methyl]ethanediamide

IUPAC name

N-[2-(4-fluorophenyl)-2H4H6H-thieno[34-c]pyrazol-3-yl]-N'-[(4-methylphenyl)methyl]ethanediamide

SMILES

Cc1ccc(CNC(C(Nc2c(CSC3)c3nn2-c(cc2)ccc2F)=O)=O)cc1

InChI

InChI=1S/C21H19FN4O2S/c1-13-2-4-14(5-3-13)10-23-20(27)21(28)24-19-17-11-29-12-18(17)25-26(19)16-8-6-15(22)7-9-16/h2-9H,10-12H2,1H3,(H,23,27)(H,24,28)

InChI Key

ZYGCEOFNZFXQOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07653879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.210

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-3.42

Polar Surface Area

63.315

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G857-0812 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G857-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0812?
Check Price and Availability of G857-0812, 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 G857-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0812
  • 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 G857-0812 available by request