3448-8121 Screening compound: methyl 4-(morpholin-4-yl)-3-nitrobenzoate

3448-8121 Screening compound: methyl 4-(morpholin-4-yl)-3-nitrobenzoate
3448-8121 Screening compound: methyl 4-(morpholin-4-yl)-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-8121
methyl 4-(morpholin-4-yl)-3-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

3448-8121

Molecular Formula

C12H14N2O5 (C12 H14 N2 O5)

Compound Name

methyl 4-(morpholin-4-yl)-3-nitrobenzoate

IUPAC name

methyl 4-(morpholin-4-yl)-3-nitrobenzoate

SMILES

COC(c(cc1)cc([N+]([O-])=O)c1N1CCOCC1)=O

InChI

InChI=1S/C12H14N2O5/c1-18-12(15)9-2-3-10(11(8-9)14(16)17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3

InChI Key

HPZLCXOOZSLFPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02046732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.783

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-2.14

Polar Surface Area

65.553

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 3448-8121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-8121?
Check Price and Availability of 3448-8121, 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 3448-8121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-8121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-8121
  • 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 3448-8121 available by request