4130-1535 Screening compound: N1,N4-diethyl-N1,N4-bis(2-methylphenyl)benzene-1,4-dicarboxamide

4130-1535 Screening compound: N1,N4-diethyl-N1,N4-bis(2-methylphenyl)benzene-1,4-dicarboxamide
4130-1535 Screening compound: N1,N4-diethyl-N1,N4-bis(2-methylphenyl)benzene-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-1535
N1,N4-diethyl-N1,N4-bis(2-methylphenyl)benzene-1,4-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

4130-1535

Molecular Formula

C26H28N2O2 (C26 H28 N2 O2)

Compound Name

N1,N4-diethyl-N1,N4-bis(2-methylphenyl)benzene-1,4-dicarboxamide

IUPAC name

N1N4-diethyl-N1N4-bis(2-methylphenyl)benzene-14-dicarboxamide

SMILES

CCN(C(c(cc1)ccc1C(N(CC)c1c(C)cccc1)=O)=O)c1c(C)cccc1

InChI

InChI=1S/C26H28N2O2/c1-5-27(23-13-9-7-11-19(23)3)25(29)21-15-17-22(18-16-21)26(30)28(6-2)24-14-10-8-12-20(24)4/h7-18H,5-6H2,1-4H3

InChI Key

ZFUKXWBGKSIMNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.36

Polar Surface Area

30.331

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4130-1535 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4130-1535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-1535?
Check Price and Availability of 4130-1535, 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 4130-1535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-1535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-1535
  • 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 4130-1535 available by request