FF01-6805 Screening compound: 2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid

FF01-6805 Screening compound: 2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid
FF01-6805 Screening compound: 2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound FF01-6805
2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-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

FF01-6805

Molecular Formula

C12H12ClNO4 (C12 H12 ClNO4)

Compound Name

2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid

IUPAC name

2-(6-chloro-2-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetic acid

SMILES

CCC1Oc(ccc(Cl)c2)c2N(CC(O)=O)C1=O

InChI

InChI=1S/C12H12ClNO4/c1-2-9-12(17)14(6-11(15)16)8-5-7(13)3-4-10(8)18-9/h3-5,9H,2,6H2,1H3,(H,15,16)/t9-/m1/s1

InChI Key

YWJREARBMJRLFY-SECBINFHSA-N

MDL Number (MFCD)

MFCD03830263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.280

Distribution Coefficient, logD

-2.996

Water Solubility, LogSw

-2.38

Polar Surface Area

51.922

Acid Dissociation Constant (pKa)

3.12

Base Dissociation Constant (pKb)

-5.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

FF01-6805 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with FF01-6805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF01-6805?
Check Price and Availability of FF01-6805, 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 FF01-6805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF01-6805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF01-6805
  • 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 FF01-6805 available by request