2729-0681 Screening compound: ethyl 5-iodo-3-oxo-8,9,10,11-tetrahydro-3H-[1]benzofuro[3,2-f]chromene-2-carboxylate

2729-0681 Screening compound: ethyl 5-iodo-3-oxo-8,9,10,11-tetrahydro-3H-[1]benzofuro[3,2-f]chromene-2-carboxylate
2729-0681 Screening compound: ethyl 5-iodo-3-oxo-8,9,10,11-tetrahydro-3H-[1]benzofuro[3,2-f]chromene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0681
ethyl 5-iodo-3-oxo-8,9,10,11-tetrahydro-3H-[1]benzofuro[3,2-f]chromene-2-carboxylate

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

2729-0681

Molecular Formula

C18H15IO5 (C18 H15 IO5)

Compound Name

ethyl 5-iodo-3-oxo-8,9,10,11-tetrahydro-3H-[1]benzofuro[3,2-f]chromene-2-carboxylate

IUPAC name

ethyl 8-iodo-5-oxo-611-dioxatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-137912(17)-pentaene-4-carboxylate

SMILES

CCOC(C1=Cc2c(c(CCCC3)c3o3)c3cc(I)c2OC1=O)=O

InChI

InChI=1S/C18H15IO5/c1-2-22-17(20)11-7-10-15-9-5-3-4-6-13(9)23-14(15)8-12(19)16(10)24-18(11)21/h7-8H,2-6H2,1H3

InChI Key

MKBHGFPDVMCGAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01646551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.65

Polar Surface Area

49.714

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2729-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0681?
Check Price and Availability of 2729-0681, 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 2729-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0681
  • 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 2729-0681 available by request