FF50-0250 Screening compound: 2-(8-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid

FF50-0250 Screening compound: 2-(8-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid
FF50-0250 Screening compound: 2-(8-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound FF50-0250
2-(8-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid

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

FF50-0250

Molecular Formula

C11H10ClNO4 (C11 H10 ClNO4)

Compound Name

2-(8-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid

IUPAC name

2-(8-chloro-4-oxo-2345-tetrahydro-15-benzoxazepin-3-yl)acetic acid

SMILES

OC(CC(COc(cc(cc1)Cl)c1N1)C1=O)=O

InChI

InChI=1S/C11H10ClNO4/c12-7-1-2-8-9(4-7)17-5-6(3-10(14)15)11(16)13-8/h1-2,4,6H,3,5H2,(H,13,16)(H,14,15)/t6-/m1/s1

InChI Key

ASOPDOCJZMLPFI-ZCFIWIBFSA-N

MDL Number (MFCD)

MFCD14280919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.017

Distribution Coefficient, logD

-1.895

Water Solubility, LogSw

-2.31

Polar Surface Area

62.280

Acid Dissociation Constant (pKa)

4.49

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

FF50-0250 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with FF50-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF50-0250?
Check Price and Availability of FF50-0250, 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 FF50-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF50-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF50-0250
  • 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 FF50-0250 available by request