8005-4122 Screening compound: 2H,4H,4aH,5H,9bH-indeno[1,2-d][1,3]dioxine

8005-4122 Screening compound: 2H,4H,4aH,5H,9bH-indeno[1,2-d][1,3]dioxine
8005-4122 Screening compound: 2H,4H,4aH,5H,9bH-indeno[1,2-d][1,3]dioxine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4122
2H,4H,4aH,5H,9bH-indeno[1,2-d][1,3]dioxine

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

8005-4122

Molecular Formula

C11H12O2 (C11 H12 O2)

Compound Name

2H,4H,4aH,5H,9bH-indeno[1,2-d][1,3]dioxine

IUPAC name

2H4H4aH5H9bH-indeno[12-d][13]dioxine

SMILES

C(C1C2OCOC1)c1c2cccc1

InChI

InChI=1S/C11H12O2/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10/h1-4,9,11H,5-7H2

InChI Key

CZSXBBWOROMVEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00464123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

176.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.853

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-1.79

Polar Surface Area

18.653

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

8005-4122 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8005-4122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4122?
Check Price and Availability of 8005-4122, 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 8005-4122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4122
  • 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 8005-4122 available by request