L289-0458 Screening compound: N~2~-(4-methoxybenzyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

L289-0458 Screening compound: N~2~-(4-methoxybenzyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
L289-0458 Screening compound: N~2~-(4-methoxybenzyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L289-0458
N~2~-(4-methoxybenzyl)-6-methyl-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

L289-0458

Molecular Formula

C18H18N2O4 (C18 H18 N2 O4)

Compound Name

N~2~-(4-methoxybenzyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

Cc(cc1)cc(N2)c1OC(C(NCc(cc1)ccc1OC)=O)C2=O

InChI

InChI=1S/C18H18N2O4/c1-11-3-8-15-14(9-11)20-18(22)16(24-15)17(21)19-10-12-4-6-13(23-2)7-5-12/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1

InChI Key

XTERFFIDDFJROW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27241275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

1.606

Water Solubility, LogSw

-1.97

Polar Surface Area

64.756

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

L289-0458 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 L289-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L289-0458?
Check Price and Availability of L289-0458, 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 L289-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L289-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L289-0458
  • 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 L289-0458 available by request