G857-1076 Screening compound: N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-isopentylethanediamide

G857-1076 Screening compound: N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-isopentylethanediamide
G857-1076 Screening compound: N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-isopentylethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1076
N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-isopentylethanediamide

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

G857-1076

Molecular Formula

C18H22N4O4S (C18 H22 N4 O4 S)

Compound Name

N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-isopentylethanediamide

IUPAC name

N'-{55-dioxo-2-phenyl-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl}-N-(3-methylbutyl)ethanediamide

SMILES

CC(C)CCNC(C(Nc1c(CS(C2)(=O)=O)c2nn1-c1ccccc1)=O)=O

InChI

InChI=1S/C18H22N4O4S/c1-12(2)8-9-19-17(23)18(24)20-16-14-10-27(25,26)11-15(14)21-22(16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,23)(H,20,24)

InChI Key

XBVJQDXEBWDLBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.066

Distribution Coefficient, logD

0.041

Water Solubility, LogSw

-2.22

Polar Surface Area

91.499

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G857-1076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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 G857-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1076?
Check Price and Availability of G857-1076, 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 G857-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1076
  • 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 G857-1076 available by request