FF01-2335 Screening compound: 4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoic acid

FF01-2335 Screening compound: 4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoic acid
FF01-2335 Screening compound: 4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound FF01-2335
4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoic 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

FF01-2335

Molecular Formula

C14H17NO3 (C14 H17 NO3)

Compound Name

4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoic acid

IUPAC name

4-oxo-4-(2345-tetrahydro-1H-1-benzazepin-1-yl)butanoic acid

SMILES

OC(CCC(N(CCCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C14H17NO3/c16-13(8-9-14(17)18)15-10-4-3-6-11-5-1-2-7-12(11)15/h1-2,5,7H,3-4,6,8-10H2,(H,17,18)

InChI Key

XCEOETSOQLSHMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14281769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

-0.926

Water Solubility, LogSw

-2.05

Polar Surface Area

44.010

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

FF01-2335 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with FF01-2335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF01-2335?
Check Price and Availability of FF01-2335, 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 FF01-2335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF01-2335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF01-2335
  • 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 FF01-2335 available by request