L289-0051 Screening compound: ethyl 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-amido)benzoate

L289-0051 Screening compound: ethyl 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-amido)benzoate
L289-0051 Screening compound: ethyl 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L289-0051
ethyl 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-amido)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

L289-0051

Molecular Formula

C18H16N2O5 (C18 H16 N2 O5)

Compound Name

ethyl 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-amido)benzoate

IUPAC name

ethyl 3-(3-oxo-34-dihydro-2H-14-benzoxazine-2-amido)benzoate

SMILES

CCOC(c1cccc(NC(C2Oc(cccc3)c3NC2=O)=O)c1)=O

InChI

InChI=1S/C18H16N2O5/c1-2-24-18(23)11-6-5-7-12(10-11)19-16(21)15-17(22)20-13-8-3-4-9-14(13)25-15/h3-10,15H,2H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1

InChI Key

IPVYQNJEOVTQIU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27241223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.11

Polar Surface Area

76.644

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

L289-0051 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L289-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L289-0051?
Check Price and Availability of L289-0051, 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 L289-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L289-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L289-0051
  • 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 L289-0051 available by request