G835-0039 Screening compound: N-(3,4-difluorophenyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

G835-0039 Screening compound: N-(3,4-difluorophenyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide
G835-0039 Screening compound: N-(3,4-difluorophenyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G835-0039
N-(3,4-difluorophenyl)-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

G835-0039

Molecular Formula

C16H15F2N3O2 (C16 H15 F2 N3 O2)

Compound Name

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

IUPAC name

N-(34-difluorophenyl)-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C16H15F2N3O2/c17-12-6-5-11(8-13(12)18)19-15(22)9-21-16(23)7-10-3-1-2-4-14(10)20-21/h5-8H,1-4,9H2,(H,19,22)

InChI Key

IXVMJMZTYBGYOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.91

Polar Surface Area

51.382

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G835-0039 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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 G835-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G835-0039?
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What is the minimum amount of G835-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G835-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G835-0039
  • 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 G835-0039 available by request