6217-3068 Screening compound: (5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one

6217-3068 Screening compound: (5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one
6217-3068 Screening compound: (5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6217-3068
(5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-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

6217-3068

Molecular Formula

C21H14ClNO4 (C21 H14 ClNO4)

Compound Name

(5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one

IUPAC name

(5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-45-dihydro-13-oxazol-4-one

SMILES

COc1cccc(C(O/C2=C\c3ccc(-c(cccc4)c4Cl)o3)=NC2=O)c1

InChI

InChI=1S/C21H14ClNO4/c1-25-14-6-4-5-13(11-14)21-23-20(24)19(27-21)12-15-9-10-18(26-15)16-7-2-3-8-17(16)22/h2-12H,1H3

InChI Key

NQUXRYJXQKAQMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.97

Polar Surface Area

46.149

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 6217-3068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6217-3068?
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What is the minimum amount of 6217-3068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6217-3068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6217-3068
  • 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 6217-3068 available by request