8004-4432 Screening compound: 4-chloro-2-[(1,2-dihydro-5-acenaphthylenylimino)methyl]-3,5-dimethylphenol

8004-4432 Screening compound: 4-chloro-2-[(1,2-dihydro-5-acenaphthylenylimino)methyl]-3,5-dimethylphenol
8004-4432 Screening compound: 4-chloro-2-[(1,2-dihydro-5-acenaphthylenylimino)methyl]-3,5-dimethylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4432
4-chloro-2-[(1,2-dihydro-5-acenaphthylenylimino)methyl]-3,5-dimethylphenol

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

8004-4432

Molecular Formula

C21H18ClNO (C21 H18 ClNO)

Compound Name

4-chloro-2-[(1,2-dihydro-5-acenaphthylenylimino)methyl]-3,5-dimethylphenol

IUPAC name

4-chloro-2-[(E)-[(12-dihydroacenaphthylen-5-yl)imino]methyl]-35-dimethylphenol

SMILES

Cc1cc(O)c(/C=N/c2ccc(CC3)c4c3cccc24)c(C)c1Cl

InChI

InChI=1S/C21H18ClNO/c1-12-10-19(24)17(13(2)21(12)22)11-23-18-9-8-15-7-6-14-4-3-5-16(18)20(14)15/h3-5,8-11,24H,6-7H2,1-2H3

InChI Key

GAJDQKOEENCZOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00694938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.83

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.367

Distribution Coefficient, logD

6.339

Water Solubility, LogSw

-6.09

Polar Surface Area

24.231

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

8004-4432 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8004-4432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4432?
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What is the minimum amount of 8004-4432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4432
  • 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 8004-4432 available by request