C794-1628 Screening compound: N-(5-chloro-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

C794-1628 Screening compound: N-(5-chloro-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
C794-1628 Screening compound: N-(5-chloro-2-methylphenyl)-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 C794-1628
N-(5-chloro-2-methylphenyl)-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

C794-1628

Molecular Formula

C27H25ClFN3O3 (C27 H25 ClFN3 O3)

Compound Name

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

IUPAC name

N-(5-chloro-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-34-dihydrospiro[13-benzoxazine-24'-piperidine]-1'-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(N(CC1)CCC1(N1Cc(cccc2)c2F)Oc(cccc2)c2C1=O)=O

InChI

InChI=1S/C27H25ClFN3O3/c1-18-10-11-20(28)16-23(18)30-26(34)31-14-12-27(13-15-31)32(17-19-6-2-4-8-22(19)29)25(33)21-7-3-5-9-24(21)35-27/h2-11,16H,12-15,17H2,1H3,(H,30,34)

InChI Key

CMWUFBKDKRZTJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.260

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.59

Polar Surface Area

46.225

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C794-1628 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C794-1628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1628?
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What is the minimum amount of C794-1628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1628
  • 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 C794-1628 available by request