2047-9696 Screening compound: (4Z)-2-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2047-9696 Screening compound: (4Z)-2-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2047-9696 Screening compound: (4Z)-2-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2047-9696
(4Z)-2-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)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

2047-9696

Molecular Formula

C17H11Cl2NO3 (C17 H11 Cl2 NO3)

Compound Name

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

IUPAC name

(4Z)-2-(25-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

COc1ccc(/C=C2\N=C(c(cc(cc3)Cl)c3Cl)OC2=O)cc1

InChI

InChI=1S/C17H11Cl2NO3/c1-22-12-5-2-10(3-6-12)8-15-17(21)23-16(20-15)13-9-11(18)4-7-14(13)19/h2-9H,1H3

InChI Key

NGWVBAGWVPNKDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.81

Polar Surface Area

37.919

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2047-9696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2047-9696?
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What is the minimum amount of 2047-9696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2047-9696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2047-9696
  • 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 2047-9696 available by request