8012-4015 Screening compound: N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide

8012-4015 Screening compound: N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
8012-4015 Screening compound: N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4015
N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide

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

8012-4015

Molecular Formula

C26H27N3O6 (C26 H27 N3 O6)

Compound Name

N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide

IUPAC name

N1N3-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-13-dicarboxamide

SMILES

Cc(cc1)ccc1OCCNC(c1cc([N+]([O-])=O)cc(C(NCCOc2ccc(C)cc2)=O)c1)=O

InChI

InChI=1S/C26H27N3O6/c1-18-3-7-23(8-4-18)34-13-11-27-25(30)20-15-21(17-22(16-20)29(32)33)26(31)28-12-14-35-24-9-5-19(2)6-10-24/h3-10,15-17H,11-14H2,1-2H3,(H,27,30)(H,28,31)

InChI Key

IESBTURUBOXZOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.02

Polar Surface Area

96.965

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8012-4015 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 8012-4015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4015?
Check Price and Availability of 8012-4015, 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 8012-4015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4015
  • 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 8012-4015 available by request