F184-0055 Screening compound: ethyl 1-{1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carbonyl}piperidine-4-carboxylate

F184-0055 Screening compound: ethyl 1-{1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carbonyl}piperidine-4-carboxylate
F184-0055 Screening compound: ethyl 1-{1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F184-0055
ethyl 1-{1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carbonyl}piperidine-4-carboxylate

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

F184-0055

Molecular Formula

C23H31N3O7S (C23 H31 N3 O7 S)

Compound Name

ethyl 1-{1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{1-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]piperidine-3-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(CCC1)CN1S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O)=O)=O

InChI

InChI=1S/C23H31N3O7S/c1-3-32-23(29)16-6-9-25(10-7-16)22(28)17-5-4-8-26(13-17)34(30,31)20-12-19-18(11-15(20)2)24-21(27)14-33-19/h11-12,16-17H,3-10,13-14H2,1-2H3,(H,24,27)/t17-/m0/s1

InChI Key

AQEQFDZKXIZEAC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27107535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.152

Distribution Coefficient, logD

1.151

Water Solubility, LogSw

-2.32

Polar Surface Area

102.555

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

F184-0055 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F184-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F184-0055?
Check Price and Availability of F184-0055, 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 F184-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F184-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F184-0055
  • 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 F184-0055 available by request