2062-1064 Screening compound: (4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-2-(3-iodophenyl)-4,5-dihydro-1,3-oxazol-5-one

2062-1064 Screening compound: (4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-2-(3-iodophenyl)-4,5-dihydro-1,3-oxazol-5-one
2062-1064 Screening compound: (4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-2-(3-iodophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2062-1064
(4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-2-(3-iodophenyl)-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

2062-1064

Molecular Formula

C23H16INO3 (C23 H16 INO3)

Compound Name

(4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-2-(3-iodophenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-2-(3-iodophenyl)-45-dihydro-13-oxazol-5-one

SMILES

O=C1OC(c2cccc(I)c2)=N/C1=C\c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C23H16INO3/c24-19-8-4-7-18(14-19)22-25-21(23(26)28-22)13-16-9-11-20(12-10-16)27-15-17-5-2-1-3-6-17/h1-14H,15H2

InChI Key

IBPLTXDBSNCONP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01012177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.798

Distribution Coefficient, logD

5.798

Water Solubility, LogSw

-6.04

Polar Surface Area

37.603

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 2062-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2062-1064?
Check Price and Availability of 2062-1064, 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 2062-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2062-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2062-1064
  • 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 2062-1064 available by request