F184-0425 Screening compound: 1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

F184-0425 Screening compound: 1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
F184-0425 Screening compound: 1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F184-0425
1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]piperidine-3-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

F184-0425

Molecular Formula

C21H21Cl2N3O5S (C21 H21 Cl2 N3 O5 S)

Compound Name

1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

IUPAC name

1-[(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1S(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C21H21Cl2N3O5S/c22-15-6-2-1-4-13(15)10-24-21(28)14-5-3-7-26(11-14)32(29,30)19-9-18-17(8-16(19)23)25-20(27)12-31-18/h1-2,4,6,8-9,14H,3,5,7,10-12H2,(H,24,28)(H,25,27)/t14-/m0/s1

InChI Key

PLLMAZDHTHSJNM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27107645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-3.23

Polar Surface Area

89.566

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F184-0425 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with F184-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F184-0425?
Check Price and Availability of F184-0425, 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 F184-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F184-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F184-0425
  • 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 F184-0425 available by request