L289-0181 Screening compound: N~2~-(4-fluoro-2-methylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

L289-0181 Screening compound: N~2~-(4-fluoro-2-methylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
L289-0181 Screening compound: N~2~-(4-fluoro-2-methylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L289-0181
N~2~-(4-fluoro-2-methylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-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

L289-0181

Molecular Formula

C16H13FN2O3 (C16 H13 FN2 O3)

Compound Name

N~2~-(4-fluoro-2-methylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

N-(4-fluoro-2-methylphenyl)-3-oxo-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

Cc(cc(cc1)F)c1NC(C1Oc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C16H13FN2O3/c1-9-8-10(17)6-7-11(9)18-15(20)14-16(21)19-12-4-2-3-5-13(12)22-14/h2-8,14H,1H3,(H,18,20)(H,19,21)/t14-/m0/s1

InChI Key

CDIFOEQRSDUJIP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27241260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.302

Distribution Coefficient, logD

2.302

Water Solubility, LogSw

-2.87

Polar Surface Area

55.192

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

L289-0181 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L289-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L289-0181?
Check Price and Availability of L289-0181, 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 L289-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L289-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L289-0181
  • 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 L289-0181 available by request