0468-0222 Screening compound: 3-iodopentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene

0468-0222 Screening compound: 3-iodopentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
0468-0222 Screening compound: 3-iodopentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0468-0222
3-iodopentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene

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

0468-0222

Molecular Formula

C20H13I (C20 H13 I)

Compound Name

3-iodopentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene

IUPAC name

3-iodopentacyclo[6.6.6.0^{27}.0^{914}.0^{1520}]icosa-2(7)359(14)101215(20)1618-nonaene

SMILES

Ic1c(C(c2c(C34)cccc2)c2c4cccc2)c3ccc1

InChI

InChI=1S/C20H13I/c21-17-11-5-10-16-18-12-6-1-3-8-14(12)19(20(16)17)15-9-4-2-7-13(15)18/h1-11,18-19H

InChI Key

NNULQKYOKHRTME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00419462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.23

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

6.099

Distribution Coefficient, logD

6.099

Water Solubility, LogSw

-6.34

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 0468-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0468-0222?
Check Price and Availability of 0468-0222, 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 0468-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0468-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0468-0222
  • 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 0468-0222 available by request