3814-0180 Screening compound: N1,N4-bis(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide

3814-0180 Screening compound: N1,N4-bis(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
3814-0180 Screening compound: N1,N4-bis(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0180
N1,N4-bis(2,4,6-trimethylphenyl)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

3814-0180

Molecular Formula

C26H28N2O2 (C26 H28 N2 O2)

Compound Name

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

IUPAC name

N1N4-bis(246-trimethylphenyl)benzene-14-dicarboxamide

SMILES

Cc(cc1C)cc(C)c1NC(c(cc1)ccc1C(Nc1c(C)cc(C)cc1C)=O)=O

InChI

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

InChI Key

HPCRLCHPHIDMRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01971349

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.33

Polar Surface Area

43.630

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

3814-0180 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3814-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0180?
Check Price and Availability of 3814-0180, 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 3814-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0180
  • 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 3814-0180 available by request