8539-0715 Screening compound: 6-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

8539-0715 Screening compound: 6-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
8539-0715 Screening compound: 6-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0715
6-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-1,3-thiazol-4-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

8539-0715

Molecular Formula

C26H18FN5O2S (C26 H18 FN5 O2 S)

Compound Name

6-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-13-thiazol-4-yl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C1Nc(cc(cc2)-c3csc(Nc4cc(-c5ccccc5)nn4-c(cc4)ccc4F)n3)c2OC1

InChI

InChI=1S/C26H18FN5O2S/c27-18-7-9-19(10-8-18)32-24(13-20(31-32)16-4-2-1-3-5-16)30-26-29-22(15-35-26)17-6-11-23-21(12-17)28-25(33)14-34-23/h1-13,15H,14H2,(H,28,33)(H,29,30)

InChI Key

ZWRNENUNCMORQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08280381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.296

Distribution Coefficient, logD

6.296

Water Solubility, LogSw

-6.17

Polar Surface Area

66.359

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

8539-0715 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8539-0715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0715?
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What is the minimum amount of 8539-0715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0715
  • 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 8539-0715 available by request