2165-0958 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2165-0958 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2165-0958 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2165-0958
(4Z)-2-(4-butoxyphenyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-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

2165-0958

Molecular Formula

C21H21NO3 (C21 H21 NO3)

Compound Name

(4Z)-2-(4-butoxyphenyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-butoxyphenyl)-4-[(4-methylphenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

CCCCOc(cc1)ccc1C(OC1=O)=N/C1=C\c1ccc(C)cc1

InChI

InChI=1S/C21H21NO3/c1-3-4-13-24-18-11-9-17(10-12-18)20-22-19(21(23)25-20)14-16-7-5-15(2)6-8-16/h5-12,14H,3-4,13H2,1-2H3

InChI Key

XTUSIOIQDRSOCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-4.98

Polar Surface Area

37.793

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

2165-0958 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 2165-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2165-0958?
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What is the minimum amount of 2165-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2165-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2165-0958
  • 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 2165-0958 available by request