2165-0855 Screening compound: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2165-0855 Screening compound: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2165-0855 Screening compound: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2165-0855
(4Z)-2-(3,4-dimethylphenyl)-4-[(3-methylthiophen-2-yl)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

2165-0855

Molecular Formula

C17H15NO2S (C17 H15 NO2 S)

Compound Name

(4Z)-2-(3,4-dimethylphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(34-dimethylphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

Cc1c(/C=C2\N=C(c3cc(C)c(C)cc3)OC2=O)scc1

InChI

InChI=1S/C17H15NO2S/c1-10-4-5-13(8-12(10)3)16-18-14(17(19)20-16)9-15-11(2)6-7-21-15/h4-9H,1-3H3

InChI Key

LMZLGRYDBZYYQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.40

Polar Surface Area

31.394

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 2165-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2165-0855?
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What is the minimum amount of 2165-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2165-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2165-0855
  • 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 2165-0855 available by request