8008-7617 Screening compound: 2-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-nitrobenzoate

8008-7617 Screening compound: 2-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-nitrobenzoate
8008-7617 Screening compound: 2-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7617
2-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-nitrobenzoate

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

8008-7617

Molecular Formula

C23H14N2O6 (C23 H14 N2 O6)

Compound Name

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

IUPAC name

2-{[(4Z)-5-oxo-2-phenyl-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(Oc1c(/C=C2\N=C(c3ccccc3)OC2=O)cccc1)=O)=O

InChI

InChI=1S/C23H14N2O6/c26-22(16-10-12-18(13-11-16)25(28)29)30-20-9-5-4-8-17(20)14-19-23(27)31-21(24-19)15-6-2-1-3-7-15/h1-14H

InChI Key

GBZKFHZMBCHOPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01189031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.76

Polar Surface Area

84.222

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8008-7617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7617?
Check Price and Availability of 8008-7617, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-7617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7617
  • 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 8008-7617 available by request