8006-4664 Screening compound: 2,2-dimethyl-5,5-bis[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione

8006-4664 Screening compound: 2,2-dimethyl-5,5-bis[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione
8006-4664 Screening compound: 2,2-dimethyl-5,5-bis[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4664
2,2-dimethyl-5,5-bis[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-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

8006-4664

Molecular Formula

C20H18N2O8 (C20 H18 N2 O8)

Compound Name

2,2-dimethyl-5,5-bis[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione

IUPAC name

22-dimethyl-55-bis[(4-nitrophenyl)methyl]-13-dioxane-46-dione

SMILES

CC(C)(OC(C1(Cc(cc2)ccc2[N+]([O-])=O)Cc(cc2)ccc2[N+]([O-])=O)=O)OC1=O

InChI

InChI=1S/C20H18N2O8/c1-19(2)29-17(23)20(18(24)30-19,11-13-3-7-15(8-4-13)21(25)26)12-14-5-9-16(10-6-14)22(27)28/h3-10H,11-12H2,1-2H3

InChI Key

VSODMOTYJZXJOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.37

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-4.13

Polar Surface Area

107.936

Acid Dissociation Constant (pKa)

24.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8006-4664 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-4664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4664?
Check Price and Availability of 8006-4664, 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 8006-4664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4664
  • 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 8006-4664 available by request