4789-3323 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3,4,5-triethoxybenzamide

4789-3323 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3,4,5-triethoxybenzamide
4789-3323 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3323
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3,4,5-triethoxybenzamide

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

4789-3323

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3,4,5-triethoxybenzamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-345-triethoxybenzamide

SMILES

CCOc1cc(C(NCCc2nc(cccc3)c3[nH]2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C22H27N3O4/c1-4-27-18-13-15(14-19(28-5-2)21(18)29-6-3)22(26)23-12-11-20-24-16-9-7-8-10-17(16)25-20/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,26)(H,24,25)

InChI Key

HAFFJJOAQIZLHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02967603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.46

Polar Surface Area

66.492

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 4789-3323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3323?
Check Price and Availability of 4789-3323, 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 4789-3323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3323
  • 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 4789-3323 available by request