0087-0022 Screening compound: 3,5-dibromopentacyclo[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

0087-0022 Screening compound: 3,5-dibromopentacyclo[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
0087-0022 Screening compound: 3,5-dibromopentacyclo[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 0087-0022
3,5-dibromopentacyclo[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

0087-0022

Molecular Formula

C20H12Br2 (C20 H12 Br2)

Compound Name

3,5-dibromopentacyclo[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

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

SMILES

Brc1cc(Br)c(C(c2c(C34)cccc2)c2c4cccc2)c3c1

InChI

InChI=1S/C20H12Br2/c21-11-9-16-18-12-5-1-3-7-14(12)19(20(16)17(22)10-11)15-8-4-2-6-13(15)18/h1-10,18-19H

InChI Key

TZHVKRAFGKWWDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.12

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

6.956

Distribution Coefficient, logD

6.956

Water Solubility, LogSw

-6.53

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

22.02

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 0087-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0087-0022?
Check Price and Availability of 0087-0022, 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 0087-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0087-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0087-0022
  • 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 0087-0022 available by request