8539-0659 Screening compound: 6-[9-chloro-4-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

8539-0659 Screening compound: 6-[9-chloro-4-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
8539-0659 Screening compound: 6-[9-chloro-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 8539-0659
6-[9-chloro-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

8539-0659

Molecular Formula

C26H16ClFN2O3 (C26 H16 ClFN2 O3)

Compound Name

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

IUPAC name

6-[9-chloro-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-5cc4Cl)c5n3)c2OC1

InChI

InChI=1S/C26H16ClFN2O3/c27-16-4-8-23-19(10-16)26-20(12-32-23)18(14-1-5-17(28)6-2-14)11-21(30-26)15-3-7-24-22(9-15)29-25(31)13-33-24/h1-11H,12-13H2,(H,29,31)

InChI Key

HYDYRTFTZIJAIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08279003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.88

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

6.243

Distribution Coefficient, logD

6.241

Water Solubility, LogSw

-6.31

Polar Surface Area

50.541

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8539-0659 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8539-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0659?
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What is the minimum amount of 8539-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0659
  • 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 8539-0659 available by request