L289-0118 Screening compound: 2-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

L289-0118 Screening compound: 2-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
L289-0118 Screening compound: 2-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L289-0118
2-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

L289-0118

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

2-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

2-[4-(4-acetylphenyl)piperazine-1-carbonyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(C1Oc(cccc2)c2NC1=O)=O)=O

InChI

InChI=1S/C21H21N3O4/c1-14(25)15-6-8-16(9-7-15)23-10-12-24(13-11-23)21(27)19-20(26)22-17-4-2-3-5-18(17)28-19/h2-9,19H,10-13H2,1H3,(H,22,26)/t19-/m1/s1

InChI Key

IHVYCPYLOKHEOW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15122900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.668

Distribution Coefficient, logD

1.668

Water Solubility, LogSw

-2.17

Polar Surface Area

66.534

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

L289-0118 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L289-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L289-0118?
Check Price and Availability of L289-0118, 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 L289-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L289-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L289-0118
  • 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 L289-0118 available by request