0107-0020 Screening compound: 2-(diethylamino)ethyl 4-nitrobenzoate

0107-0020 Screening compound: 2-(diethylamino)ethyl 4-nitrobenzoate
0107-0020 Screening compound: 2-(diethylamino)ethyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0107-0020
2-(diethylamino)ethyl 4-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

0107-0020

Molecular Formula

C13H18N2O4 (C13 H18 N2 O4)

Compound Name

2-(diethylamino)ethyl 4-nitrobenzoate

IUPAC name

2-(diethylamino)ethyl 4-nitrobenzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C13H18N2O4/c1-3-14(4-2)9-10-19-13(16)11-5-7-12(8-6-11)15(17)18/h5-8H,3-4,9-10H2,1-2H3

InChI Key

FRESWUPYXIRXMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00438221

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-3.17

Polar Surface Area

58.079

Acid Dissociation Constant (pKa)

30.30

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0107-0020 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0107-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0107-0020?
Check Price and Availability of 0107-0020, 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 0107-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0107-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0107-0020
  • 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 0107-0020 available by request