8012-4373 Screening compound: N1,N3-bis[2-(2-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide

8012-4373 Screening compound: N1,N3-bis[2-(2-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
8012-4373 Screening compound: N1,N3-bis[2-(2-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4373
N1,N3-bis[2-(2-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

8012-4373

Molecular Formula

C26H27N3O6 (C26 H27 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCCNC(c1cc([N+]([O-])=O)cc(C(NCCOc2c(C)cccc2)=O)c1)=O

InChI

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

InChI Key

IUWLUVFICLIMEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234013

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

5.165

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.04

Polar Surface Area

97.138

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 8012-4373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4373?
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What is the minimum amount of 8012-4373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4373
  • 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 8012-4373 available by request