2165-0816 Screening compound: 3-{[(4Z)-2-(3,4-dichlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

2165-0816 Screening compound: 3-{[(4Z)-2-(3,4-dichlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
2165-0816 Screening compound: 3-{[(4Z)-2-(3,4-dichlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2165-0816
3-{[(4Z)-2-(3,4-dichlorophenyl)-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

2165-0816

Molecular Formula

C18H11Cl2NO4 (C18 H11 Cl2 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc1cccc(/C=C2\N=C(c(cc3)cc(Cl)c3Cl)OC2=O)c1)=O

InChI

InChI=1S/C18H11Cl2NO4/c1-10(22)24-13-4-2-3-11(7-13)8-16-18(23)25-17(21-16)12-5-6-14(19)15(20)9-12/h2-9H,1H3

InChI Key

HJILKHNQNHYCIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.924

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-4.48

Polar Surface Area

51.127

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 2165-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2165-0816?
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What is the minimum amount of 2165-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2165-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2165-0816
  • 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 2165-0816 available by request