R095-0001 Screening compound: 3,3,6,8-tetramethyl-1,2,3,4-tetrahydronaphthalene-1,2-dione

R095-0001 Screening compound: 3,3,6,8-tetramethyl-1,2,3,4-tetrahydronaphthalene-1,2-dione
R095-0001 Screening compound: 3,3,6,8-tetramethyl-1,2,3,4-tetrahydronaphthalene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound R095-0001
3,3,6,8-tetramethyl-1,2,3,4-tetrahydronaphthalene-1,2-dione

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

R095-0001

Molecular Formula

C14H16O2 (C14 H16 O2)

Compound Name

3,3,6,8-tetramethyl-1,2,3,4-tetrahydronaphthalene-1,2-dione

IUPAC name

3368-tetramethyl-1234-tetrahydronaphthalene-12-dione

SMILES

CC(C)(Cc(cc(C)cc1C)c1C1=O)C1=O

InChI

InChI=1S/C14H16O2/c1-8-5-9(2)11-10(6-8)7-14(3,4)13(16)12(11)15/h5-6H,7H2,1-4H3

InChI Key

VMBYPSXFGMSMNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00045570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.01

Polar Surface Area

26.452

Acid Dissociation Constant (pKa)

23.20

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

R095-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R095-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R095-0001?
Check Price and Availability of R095-0001, 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 R095-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R095-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R095-0001
  • 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 R095-0001 available by request