8008-1427 Screening compound: 2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(4-ethylphenyl)acetamide

8008-1427 Screening compound: 2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(4-ethylphenyl)acetamide
8008-1427 Screening compound: 2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1427
2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(4-ethylphenyl)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

8008-1427

Molecular Formula

C19H21N3O (C19 H21 N3 O)

Compound Name

2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(4-ethylphenyl)acetamide

IUPAC name

2-(56-dimethyl-1H-13-benzodiazol-1-yl)-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(Cn1c(cc(C)c(C)c2)c2nc1)=O

InChI

InChI=1S/C19H21N3O/c1-4-15-5-7-16(8-6-15)21-19(23)11-22-12-20-17-9-13(2)14(3)10-18(17)22/h5-10,12H,4,11H2,1-3H3,(H,21,23)

InChI Key

VAPFNKNZFXLLEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.25

Polar Surface Area

33.573

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8008-1427 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-1427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1427?
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What is the minimum amount of 8008-1427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1427
  • 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 8008-1427 available by request