F118-0034 Screening compound: ethyl 3-{2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate

F118-0034 Screening compound: ethyl 3-{2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate
F118-0034 Screening compound: ethyl 3-{2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0034
ethyl 3-{2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate

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

F118-0034

Molecular Formula

C24H25N3O6 (C24 H25 N3 O6)

Compound Name

ethyl 3-{2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate

IUPAC name

ethyl 3-{2-[3-oxo-6-(pyrrolidine-1-carbonyl)-34-dihydro-2H-14-benzoxazin-4-yl]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(CN2c(cc(cc3)C(N4CCCC4)=O)c3OCC2=O)=O)c1)=O

InChI

InChI=1S/C24H25N3O6/c1-2-32-24(31)17-6-5-7-18(12-17)25-21(28)14-27-19-13-16(23(30)26-10-3-4-11-26)8-9-20(19)33-15-22(27)29/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,25,28)

InChI Key

COSIWVLZYPADST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.99

Polar Surface Area

84.986

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F118-0034 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F118-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0034?
Check Price and Availability of F118-0034, 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 F118-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0034
  • 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 F118-0034 available by request