4183-0079 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

4183-0079 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
4183-0079 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4183-0079
2-(1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

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

4183-0079

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

2-(1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

IUPAC name

2-(1H-13-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

SMILES

CCc(cccc1C)c1N(COCC)C(Cn1c(cccc2)c2nc1)=O

InChI

InChI=1S/C21H25N3O2/c1-4-17-10-8-9-16(3)21(17)24(15-26-5-2)20(25)13-23-14-22-18-11-6-7-12-19(18)23/h6-12,14H,4-5,13,15H2,1-3H3

InChI Key

SAUIKFVDFJVPJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.598

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.32

Polar Surface Area

33.722

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4183-0079 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4183-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4183-0079?
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What is the minimum amount of 4183-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4183-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4183-0079
  • 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 4183-0079 available by request