G835-0071 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

G835-0071 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide
G835-0071 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G835-0071
N-[2-chloro-5-(trifluoromethyl)phenyl]-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

G835-0071

Molecular Formula

C17H15ClF3N3O2 (C17 H15 ClF3 N3 O2)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C17H15ClF3N3O2/c18-12-6-5-11(17(19,20)21)8-14(12)22-15(25)9-24-16(26)7-10-3-1-2-4-13(10)23-24/h5-8H,1-4,9H2,(H,22,25)

InChI Key

VPLZJXWCGMAHSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.77

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

3.357

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.76

Polar Surface Area

50.684

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G835-0071 in Drug Discovery

Included in Screening Libraries

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 G835-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G835-0071?
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What is the minimum amount of G835-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G835-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G835-0071
  • 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 G835-0071 available by request