1731-0784 Screening compound: 3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

1731-0784 Screening compound: 3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
1731-0784 Screening compound: 3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0784
3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

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

1731-0784

Molecular Formula

C9H9Cl3O (C9 H9 Cl3 O)

Compound Name

3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

IUPAC name

34-dimethyl-4-(trichloromethyl)cyclohexa-25-dien-1-one

SMILES

CC(C(Cl)(Cl)Cl)(C=C1)C(C)=CC1=O

InChI

InChI=1S/C9H9Cl3O/c1-6-5-7(13)3-4-8(6,2)9(10,11)12/h3-5H,1-2H3

InChI Key

HDMAZHTXTAAUMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00540261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-2.98

Polar Surface Area

13.780

Acid Dissociation Constant (pKa)

30.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

1731-0784 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1731-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-0784?
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What is the minimum amount of 1731-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-0784
  • 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 1731-0784 available by request