3650-0149 Screening compound: 3,3,5,5-tetramethyl-6-(4-nitrophenyl)oxane-2,4-dione

3650-0149 Screening compound: 3,3,5,5-tetramethyl-6-(4-nitrophenyl)oxane-2,4-dione
3650-0149 Screening compound: 3,3,5,5-tetramethyl-6-(4-nitrophenyl)oxane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3650-0149
3,3,5,5-tetramethyl-6-(4-nitrophenyl)oxane-2,4-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

3650-0149

Molecular Formula

C15H17NO5 (C15 H17 NO5)

Compound Name

3,3,5,5-tetramethyl-6-(4-nitrophenyl)oxane-2,4-dione

IUPAC name

3355-tetramethyl-6-(4-nitrophenyl)oxane-24-dione

SMILES

CC(C)(C(c(cc1)ccc1[N+]([O-])=O)OC(C1(C)C)=O)C1=O

InChI

InChI=1S/C15H17NO5/c1-14(2)11(21-13(18)15(3,4)12(14)17)9-5-7-10(8-6-9)16(19)20/h5-8,11H,1-4H3/t11-/m1/s1

InChI Key

ZRDYCSSILVXCHI-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02233154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.45

Polar Surface Area

68.206

Acid Dissociation Constant (pKa)

28.98

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

3650-0149 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 3650-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3650-0149?
Check Price and Availability of 3650-0149, 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 3650-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3650-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3650-0149
  • 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 3650-0149 available by request