FF01-0445 Screening compound: 1'-methyl-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

FF01-0445 Screening compound: 1'-methyl-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one
FF01-0445 Screening compound: 1'-methyl-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound FF01-0445
1'-methyl-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

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

FF01-0445

Molecular Formula

C13H16N2O2 (C13 H16 N2 O2)

Compound Name

1'-methyl-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

IUPAC name

1'-methyl-34-dihydrospiro[13-benzoxazine-24'-piperidin]-4-one

SMILES

CN(CC1)CCC1(N1)Oc(cccc2)c2C1=O

InChI

InChI=1S/C13H16N2O2/c1-15-8-6-13(7-9-15)14-12(16)10-4-2-3-5-11(10)17-13/h2-5H,6-9H2,1H3,(H,14,16)

InChI Key

MQHAYMCVXJVJDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00112067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.840

Distribution Coefficient, logD

-0.938

Water Solubility, LogSw

-2.27

Polar Surface Area

36.142

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

FF01-0445 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with FF01-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF01-0445?
Check Price and Availability of FF01-0445, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of FF01-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF01-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF01-0445
  • 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 FF01-0445 available by request