2047-9751 Screening compound: (4Z)-2-(4-methoxy-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2047-9751 Screening compound: (4Z)-2-(4-methoxy-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2047-9751 Screening compound: (4Z)-2-(4-methoxy-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2047-9751
(4Z)-2-(4-methoxy-3-nitrophenyl)-4-[(4-nitrophenyl)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

2047-9751

Molecular Formula

C17H11N3O7 (C17 H11 N3 O7)

Compound Name

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

IUPAC name

(4Z)-2-(4-methoxy-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

COc(ccc(C(OC1=O)=N/C1=C\c(cc1)ccc1[N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H11N3O7/c1-26-15-7-4-11(9-14(15)20(24)25)16-18-13(17(21)27-16)8-10-2-5-12(6-3-10)19(22)23/h2-9H,1H3

InChI Key

UBRQTLGFVCUCIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.29

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.25

Polar Surface Area

104.468

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2047-9751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2047-9751?
Check Price and Availability of 2047-9751, 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 2047-9751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2047-9751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2047-9751
  • 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 2047-9751 available by request