2047-9574 Screening compound: (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2047-9574 Screening compound: (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2047-9574 Screening compound: (4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2047-9574
(4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-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

2047-9574

Molecular Formula

C20H13N3O5 (C20 H13 N3 O5)

Compound Name

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

IUPAC name

(4Z)-2-(5-methyl-3-phenyl-12-oxazol-4-yl)-4-[(4-nitrophenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

Cc(onc1-c2ccccc2)c1C(OC1=O)=N/C1=C\c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C20H13N3O5/c1-12-17(18(22-28-12)14-5-3-2-4-6-14)19-21-16(20(24)27-19)11-13-7-9-15(10-8-13)23(25)26/h2-11H,1H3

InChI Key

DEXLUGNUFJSLRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.89

Polar Surface Area

85.717

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 2047-9574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2047-9574?
Check Price and Availability of 2047-9574, 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 2047-9574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2047-9574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2047-9574
  • 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 2047-9574 available by request