F184-3530 Screening compound: 1-[(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide

F184-3530 Screening compound: 1-[(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
F184-3530 Screening compound: 1-[(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F184-3530
1-[(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(1-ethylpyrrolidin-2-yl)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

F184-3530

Molecular Formula

C24H36N4O5S (C24 H36 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC1Oc2cc(S(N(CCC3)CC3C(NCC3N(CC)CCC3)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C24H36N4O5S/c1-4-20-24(30)26-19-12-16(3)22(13-21(19)33-20)34(31,32)28-11-6-8-17(15-28)23(29)25-14-18-9-7-10-27(18)5-2/h12-13,17-18,20H,4-11,14-15H2,1-3H3,(H,25,29)(H,26,30)

InChI Key

ZMTVJUQFXIETFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27107859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.884

Distribution Coefficient, logD

0.619

Water Solubility, LogSw

-2.64

Polar Surface Area

93.006

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

F184-3530 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F184-3530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F184-3530?
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What is the minimum amount of F184-3530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F184-3530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F184-3530
  • 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 F184-3530 available by request