L754-0842 Screening compound: N~1~-[(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N~1~-(4-methylphenyl)propanamide

L754-0842 Screening compound: N~1~-[(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N~1~-(4-methylphenyl)propanamide
L754-0842 Screening compound: N~1~-[(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N~1~-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L754-0842
N~1~-[(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N~1~-(4-methylphenyl)propanamide

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

L754-0842

Molecular Formula

C23H28N2O3 (C23 H28 N2 O3)

Compound Name

N~1~-[(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N~1~-(4-methylphenyl)propanamide

IUPAC name

n/a

SMILES

CC(C)C(N(Cc(cc1)cc(C2)c1OCCN2C(C)=O)c1ccc(C)cc1)=O

InChI

InChI=1S/C23H28N2O3/c1-16(2)23(27)25(21-8-5-17(3)6-9-21)14-19-7-10-22-20(13-19)15-24(18(4)26)11-12-28-22/h5-10,13,16H,11-12,14-15H2,1-4H3

InChI Key

SZBSCRSBUALBCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.05

Polar Surface Area

41.193

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L754-0842 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L754-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L754-0842?
Check Price and Availability of L754-0842, 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 L754-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L754-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L754-0842
  • 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 L754-0842 available by request