K788-5217 Screening compound: 2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(4-phenylbutan-2-yl)acetamide

K788-5217 Screening compound: 2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(4-phenylbutan-2-yl)acetamide
K788-5217 Screening compound: 2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5217
2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(4-phenylbutan-2-yl)acetamide

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

K788-5217

Molecular Formula

C27H25FN2O3 (C27 H25 FN2 O3)

Compound Name

2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(4-phenylbutan-2-yl)acetamide

IUPAC name

2-[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CN(c(cccc1)c1O/C1=C/c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C27H25FN2O3/c1-19(11-12-20-7-3-2-4-8-20)29-26(31)18-30-23-9-5-6-10-24(23)33-25(27(30)32)17-21-13-15-22(28)16-14-21/h2-10,13-17,19H,11-12,18H2,1H3,(H,29,31)/t19-/m0/s1

InChI Key

ABAHUKSBJNXGNS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15105552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.63

Polar Surface Area

46.946

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

K788-5217 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 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

References: we are preparing a list of scientific research reports with K788-5217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5217?
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What is the minimum amount of K788-5217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5217
  • 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 K788-5217 available by request