8007-6296 Screening compound: (4Z)-2-(3,5-dinitrophenyl)-4-[(4-iodophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

8007-6296 Screening compound: (4Z)-2-(3,5-dinitrophenyl)-4-[(4-iodophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
8007-6296 Screening compound: (4Z)-2-(3,5-dinitrophenyl)-4-[(4-iodophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6296
(4Z)-2-(3,5-dinitrophenyl)-4-[(4-iodophenyl)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

8007-6296

Molecular Formula

C16H8IN3O6 (C16 H8 IN3 O6)

Compound Name

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

IUPAC name

(4Z)-2-(35-dinitrophenyl)-4-[(4-iodophenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

[O-][N+](c1cc(C(OC2=O)=N/C2=C\c(cc2)ccc2I)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C16H8IN3O6/c17-11-3-1-9(2-4-11)5-14-16(21)26-15(18-14)10-6-12(19(22)23)8-13(7-10)20(24)25/h1-8H

InChI Key

XXCIKIVOWNCWHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.16

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.56

Polar Surface Area

97.139

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8007-6296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6296?
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What is the minimum amount of 8007-6296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6296
  • 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 8007-6296 available by request