C794-1652 Screening compound: N-(2,5-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

C794-1652 Screening compound: N-(2,5-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
C794-1652 Screening compound: N-(2,5-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1652
N-(2,5-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

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

C794-1652

Molecular Formula

C28H28FN3O5 (C28 H28 FN3 O5)

Compound Name

N-(2,5-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-34-dihydrospiro[13-benzoxazine-24'-piperidine]-1'-carboxamide

SMILES

COc(cc1)cc(NC(N(CC2)CCC2(N2Cc(cccc3)c3F)Oc(cccc3)c3C2=O)=O)c1OC

InChI

InChI=1S/C28H28FN3O5/c1-35-20-11-12-25(36-2)23(17-20)30-27(34)31-15-13-28(14-16-31)32(18-19-7-3-5-9-22(19)29)26(33)21-8-4-6-10-24(21)37-28/h3-12,17H,13-16,18H2,1-2H3,(H,30,34)

InChI Key

DJNNIJQYNGREPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.35

Polar Surface Area

61.399

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C794-1652 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C794-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1652?
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What is the minimum amount of C794-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1652
  • 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 C794-1652 available by request