2165-0890 Screening compound: 3-(acetyloxy)-4-{[(4Z)-2-(3,4-dimethylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

2165-0890 Screening compound: 3-(acetyloxy)-4-{[(4Z)-2-(3,4-dimethylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
2165-0890 Screening compound: 3-(acetyloxy)-4-{[(4Z)-2-(3,4-dimethylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2165-0890
3-(acetyloxy)-4-{[(4Z)-2-(3,4-dimethylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

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

2165-0890

Molecular Formula

C22H19NO6 (C22 H19 NO6)

Compound Name

3-(acetyloxy)-4-{[(4Z)-2-(3,4-dimethylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

IUPAC name

3-(acetyloxy)-4-{[(4Z)-2-(34-dimethylphenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl acetate

SMILES

CC(Oc1cc(OC(C)=O)c(/C=C2\N=C(c3cc(C)c(C)cc3)OC2=O)cc1)=O

InChI

InChI=1S/C22H19NO6/c1-12-5-6-17(9-13(12)2)21-23-19(22(26)29-21)10-16-7-8-18(27-14(3)24)11-20(16)28-15(4)25/h5-11H,1-4H3

InChI Key

VEYSTKPYPNZCKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.54

Polar Surface Area

71.964

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

2165-0890 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2165-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2165-0890?
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What is the minimum amount of 2165-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2165-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2165-0890
  • 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 2165-0890 available by request