G835-0054 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

G835-0054 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide
G835-0054 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G835-0054
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)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

G835-0054

Molecular Formula

C18H20ClN3O3 (C18 H20 ClN3 O3)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

Cc(cc(c(OC)c1)NC(CN2N=C(CCCC3)C3=CC2=O)=O)c1Cl

InChI

InChI=1S/C18H20ClN3O3/c1-11-7-15(16(25-2)9-13(11)19)20-17(23)10-22-18(24)8-12-5-3-4-6-14(12)21-22/h7-9H,3-6,10H2,1-2H3,(H,20,23)

InChI Key

RLDZMVOGUUMULE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-3.40

Polar Surface Area

58.315

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G835-0054 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G835-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G835-0054?
Check Price and Availability of G835-0054, 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 G835-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G835-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G835-0054
  • 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 G835-0054 available by request