5326-0696 Screening compound: N-(1-tert-butyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide

5326-0696 Screening compound: N-(1-tert-butyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide
5326-0696 Screening compound: N-(1-tert-butyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5326-0696
N-(1-tert-butyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide

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

5326-0696

Molecular Formula

C21H25N3O4 (C21 H25 N3 O4)

Compound Name

N-(1-tert-butyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide

IUPAC name

N-(1-tert-butyl-1H-13-benzodiazol-5-yl)-345-trimethoxybenzamide

SMILES

CC(C)(C)n1c(ccc(NC(c(cc2OC)cc(OC)c2OC)=O)c2)c2nc1

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)24-12-22-15-11-14(7-8-16(15)24)23-20(25)13-9-17(26-4)19(28-6)18(10-13)27-5/h7-12H,1-6H3,(H,23,25)

InChI Key

JEGCNOKVNIAQFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03300006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.54

Polar Surface Area

57.918

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5326-0696 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5326-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5326-0696?
Check Price and Availability of 5326-0696, 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 5326-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5326-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5326-0696
  • 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 5326-0696 available by request