M128-0087 Screening compound: 4-(2-fluorobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M128-0087 Screening compound: 4-(2-fluorobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M128-0087 Screening compound: 4-(2-fluorobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M128-0087
4-(2-fluorobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

M128-0087

Molecular Formula

C16H14FNO2 (C16 H14 FNO2)

Compound Name

4-(2-fluorobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(2-fluorobenzoyl)-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(c(cccc1)c1F)N1Cc(cccc2)c2OCC1

InChI

InChI=1S/C16H14FNO2/c17-14-7-3-2-6-13(14)16(19)18-9-10-20-15-8-4-1-5-12(15)11-18/h1-8H,9-11H2

InChI Key

NSJMSIZXHXYDMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.40

Polar Surface Area

24.831

Acid Dissociation Constant (pKa)

27.14

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

M128-0087 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M128-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M128-0087?
Check Price and Availability of M128-0087, 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 M128-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M128-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M128-0087
  • 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 M128-0087 available by request