G835-0077 Screening compound: N-(2-chlorobenzyl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide

G835-0077 Screening compound: N-(2-chlorobenzyl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide
G835-0077 Screening compound: N-(2-chlorobenzyl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G835-0077
N-(2-chlorobenzyl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide

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

G835-0077

Molecular Formula

C17H18ClN3O2 (C17 H18 ClN3 O2)

Compound Name

N-(2-chlorobenzyl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C17H18ClN3O2/c18-14-7-3-1-6-13(14)10-19-16(22)11-21-17(23)9-12-5-2-4-8-15(12)20-21/h1,3,6-7,9H,2,4-5,8,10-11H2,(H,19,22)

InChI Key

NDPVXEUWTJXOAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.491

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-3.17

Polar Surface Area

52.704

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

G835-0077 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G835-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G835-0077?
Check Price and Availability of G835-0077, 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 G835-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G835-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G835-0077
  • 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 G835-0077 available by request