4130-1492 Screening compound: N1,N4-bis(2-ethyl-6-methylphenyl)benzene-1,4-dicarboxamide

4130-1492 Screening compound: N1,N4-bis(2-ethyl-6-methylphenyl)benzene-1,4-dicarboxamide
4130-1492 Screening compound: N1,N4-bis(2-ethyl-6-methylphenyl)benzene-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-1492
N1,N4-bis(2-ethyl-6-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

4130-1492

Molecular Formula

C26H28N2O2 (C26 H28 N2 O2)

Compound Name

N1,N4-bis(2-ethyl-6-methylphenyl)benzene-1,4-dicarboxamide

IUPAC name

N1N4-bis(2-ethyl-6-methylphenyl)benzene-14-dicarboxamide

SMILES

CCc(cccc1C)c1NC(c(cc1)ccc1C(Nc1c(CC)cccc1C)=O)=O

InChI

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

InChI Key

CZCKMEUMFABMGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.59

Polar Surface Area

43.630

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4130-1492 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4130-1492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-1492?
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What is the minimum amount of 4130-1492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-1492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-1492
  • 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 4130-1492 available by request