6217-3061 Screening compound: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one

6217-3061 Screening compound: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one
6217-3061 Screening compound: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6217-3061
(5Z)-5-{[5-(4-bromophenyl)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

6217-3061

Molecular Formula

C21H14BrNO4 (C21 H14 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(O/C2=C\c3ccc(-c(cc4)ccc4Br)o3)=NC2=O)c1

InChI

InChI=1S/C21H14BrNO4/c1-25-16-4-2-3-14(11-16)21-23-20(24)19(27-21)12-17-9-10-18(26-17)13-5-7-15(22)8-6-13/h2-12H,1H3

InChI Key

TUJUCRCQKGILKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.25

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

5.141

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.15

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

6217-3061 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6217-3061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6217-3061?
Check Price and Availability of 6217-3061, 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 6217-3061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6217-3061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6217-3061
  • 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 6217-3061 available by request