0330-0115 Screening compound: 5-methoxy-5-(4-nitrophenyl)-3-(trichloromethyl)-1,2-oxazolidine

0330-0115 Screening compound: 5-methoxy-5-(4-nitrophenyl)-3-(trichloromethyl)-1,2-oxazolidine
0330-0115 Screening compound: 5-methoxy-5-(4-nitrophenyl)-3-(trichloromethyl)-1,2-oxazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0330-0115
5-methoxy-5-(4-nitrophenyl)-3-(trichloromethyl)-1,2-oxazolidine

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

0330-0115

Molecular Formula

C11H11Cl3N2O4 (C11 H11 Cl3 N2 O4)

Compound Name

5-methoxy-5-(4-nitrophenyl)-3-(trichloromethyl)-1,2-oxazolidine

IUPAC name

5-methoxy-5-(4-nitrophenyl)-3-(trichloromethyl)-12-oxazolidine

SMILES

COC(C1)(c(cc2)ccc2[N+]([O-])=O)ONC1C(Cl)(Cl)Cl

InChI

InChI=1S/C11H11Cl3N2O4/c1-19-10(6-9(15-20-10)11(12,13)14)7-2-4-8(5-3-7)16(17)18/h2-5,9,15H,6H2,1H3

InChI Key

LTXHOJYGXHNJGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00428399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.75

Polar Surface Area

65.585

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

0330-0115 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0330-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0330-0115?
Check Price and Availability of 0330-0115, 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 0330-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0330-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0330-0115
  • 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 0330-0115 available by request