C794-1623 Screening compound: 3-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

C794-1623 Screening compound: 3-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
C794-1623 Screening compound: 3-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1623
3-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-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

C794-1623

Molecular Formula

C27H26FN3O4 (C27 H26 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(N(CC2)CCC2(N2Cc(cccc3)c3F)Oc(cccc3)c3C2=O)=O)c1

InChI

InChI=1S/C27H26FN3O4/c1-34-21-9-6-8-20(17-21)29-26(33)30-15-13-27(14-16-30)31(18-19-7-2-4-11-23(19)28)25(32)22-10-3-5-12-24(22)35-27/h2-12,17H,13-16,18H2,1H3,(H,29,33)

InChI Key

QUQMBIOGQDWBEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.37

Polar Surface Area

54.466

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C794-1623 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C794-1623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1623?
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What is the minimum amount of C794-1623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1623
  • 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 C794-1623 available by request