3455-3179 Screening compound: methyl 3-(morpholine-4-carbonyl)-5-nitrobenzoate

3455-3179 Screening compound: methyl 3-(morpholine-4-carbonyl)-5-nitrobenzoate
3455-3179 Screening compound: methyl 3-(morpholine-4-carbonyl)-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-3179
methyl 3-(morpholine-4-carbonyl)-5-nitrobenzoate

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

3455-3179

Molecular Formula

C13H14N2O6 (C13 H14 N2 O6)

Compound Name

methyl 3-(morpholine-4-carbonyl)-5-nitrobenzoate

IUPAC name

methyl 3-(morpholine-4-carbonyl)-5-nitrobenzoate

SMILES

COC(c1cc(C(N2CCOCC2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C13H14N2O6/c1-20-13(17)10-6-9(7-11(8-10)15(18)19)12(16)14-2-4-21-5-3-14/h6-8H,2-5H2,1H3

InChI Key

GJIJKYKQCXKFFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01207083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.26

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.994

Distribution Coefficient, logD

0.994

Water Solubility, LogSw

-1.50

Polar Surface Area

79.351

Acid Dissociation Constant (pKa)

28.82

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

3455-3179 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 3455-3179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-3179?
Check Price and Availability of 3455-3179, 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 3455-3179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-3179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-3179
  • 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 3455-3179 available by request