M128-0082 Screening compound: 2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL[2-(TRIFLUOROMETHYL)PHENYL]METHANONE

M128-0082 Screening compound: 2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL[2-(TRIFLUOROMETHYL)PHENYL]METHANONE
M128-0082 Screening compound: 2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL[2-(TRIFLUOROMETHYL)PHENYL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound M128-0082
2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL[2-(TRIFLUOROMETHYL)PHENYL]METHANONE

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

M128-0082

Molecular Formula

C17H14F3NO2 (C17 H14 F3 NO2)

Compound Name

2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL[2-(TRIFLUOROMETHYL)PHENYL]METHANONE

IUPAC name

4-[2-(trifluoromethyl)benzoyl]-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(c1c(C(F)(F)F)cccc1)N1Cc(cccc2)c2OCC1

InChI

InChI=1S/C17H14F3NO2/c18-17(19,20)14-7-3-2-6-13(14)16(22)21-9-10-23-15-8-4-1-5-12(15)11-21/h1-8H,9-11H2

InChI Key

CETMGOVUQQXCIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27498514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.62

Polar Surface Area

24.831

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

M128-0082 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with M128-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M128-0082?
Check Price and Availability of M128-0082, 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 M128-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M128-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M128-0082
  • 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 M128-0082 available by request