8539-0662 Screening compound: 6-[9-fluoro-4-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

8539-0662 Screening compound: 6-[9-fluoro-4-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
8539-0662 Screening compound: 6-[9-fluoro-4-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0662
6-[9-fluoro-4-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

8539-0662

Molecular Formula

C26H16F2N2O3 (C26 H16 F2 N2 O3)

Compound Name

6-[9-fluoro-4-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-[9-fluoro-4-(4-fluorophenyl)-5H-chromeno[43-b]pyridin-2-yl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C1Nc(cc(cc2)-c3cc(-c(cc4)ccc4F)c(COc(cc4)c-5cc4F)c5n3)c2OC1

InChI

InChI=1S/C26H16F2N2O3/c27-16-4-1-14(2-5-16)18-11-21(15-3-7-24-22(9-15)29-25(31)13-33-24)30-26-19-10-17(28)6-8-23(19)32-12-20(18)26/h1-11H,12-13H2,(H,29,31)

InChI Key

BOBIHZUTIRAFEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08279006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.787

Distribution Coefficient, logD

5.786

Water Solubility, LogSw

-5.96

Polar Surface Area

50.541

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8539-0662 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8539-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0662?
Check Price and Availability of 8539-0662, 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 8539-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0662
  • 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 8539-0662 available by request