F633-0498 Screening compound: N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide

F633-0498 Screening compound: N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
F633-0498 Screening compound: N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F633-0498
N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-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

F633-0498

Molecular Formula

C22H24ClN3O5S (C22 H24 ClN3 O5 S)

Compound Name

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

IUPAC name

N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide

SMILES

CC1Oc(ccc(S(N(CC2)CCC2C(Nc(ccc(C)c2)c2Cl)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C22H24ClN3O5S/c1-13-3-5-18(17(23)11-13)24-22(28)15-7-9-26(10-8-15)32(29,30)16-4-6-20-19(12-16)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)/t14-/m1/s1

InChI Key

KLNNFQQCPIYEJS-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27180603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.39

Polar Surface Area

86.951

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

F633-0498 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F633-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F633-0498?
Check Price and Availability of F633-0498, 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 F633-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F633-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F633-0498
  • 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 F633-0498 available by request