2062-1314 Screening compound: methyl 4-{[(4Z)-2-(3-iodophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}benzoate

2062-1314 Screening compound: methyl 4-{[(4Z)-2-(3-iodophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}benzoate
2062-1314 Screening compound: methyl 4-{[(4Z)-2-(3-iodophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2062-1314
methyl 4-{[(4Z)-2-(3-iodophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}benzoate

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

2062-1314

Molecular Formula

C18H12INO4 (C18 H12 INO4)

Compound Name

methyl 4-{[(4Z)-2-(3-iodophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(4Z)-2-(3-iodophenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}benzoate

SMILES

COC(c1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1)=O

InChI

InChI=1S/C18H12INO4/c1-23-17(21)12-7-5-11(6-8-12)9-15-18(22)24-16(20-15)13-3-2-4-14(19)10-13/h2-10H,1H3

InChI Key

IAVVPJOLPGLYKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.63

Polar Surface Area

51.549

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 2062-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2062-1314?
Check Price and Availability of 2062-1314, 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 2062-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2062-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2062-1314
  • 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 2062-1314 available by request