8010-3604 Screening compound: (2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl benzoate

8010-3604 Screening compound: (2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl benzoate
8010-3604 Screening compound: (2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3604
(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)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

8010-3604

Molecular Formula

C19H24O7 (C19 H24 O7)

Compound Name

(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl benzoate

IUPAC name

{441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecan-8-yl}methyl benzoate

SMILES

CC1(C)OC2C(COC(c3ccccc3)=O)OC3OC(C)(C)OC3C2O1

InChI

InChI=1S/C19H24O7/c1-18(2)23-13-12(10-21-16(20)11-8-6-5-7-9-11)22-17-15(14(13)24-18)25-19(3,4)26-17/h5-9,12-15,17H,10H2,1-4H3

InChI Key

PVMUOTUDLIZEAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.379

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-3.29

Polar Surface Area

61.184

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

63.20

8010-3604 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3604?
Check Price and Availability of 8010-3604, 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 8010-3604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3604
  • 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 8010-3604 available by request