1731-0782 Screening compound: 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline

1731-0782 Screening compound: 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline
1731-0782 Screening compound: 3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0782
3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline

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

1731-0782

Molecular Formula

C16H16Cl3N (C16 H16 Cl3 N)

Compound Name

3,4-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]aniline

IUPAC name

34-dimethyl-N-[4-methyl-4-(trichloromethyl)cyclohexa-25-dien-1-ylidene]aniline

SMILES

CC(C(Cl)(Cl)Cl)(C=C1)C=CC1=Nc1cc(C)c(C)cc1

InChI

InChI=1S/C16H16Cl3N/c1-11-4-5-14(10-12(11)2)20-13-6-8-15(3,9-7-13)16(17,18)19/h4-10H,1-3H3

InChI Key

DZLQEGDECGAHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00756799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.67

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.387

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-6.41

Polar Surface Area

8.636

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

10.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 1731-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-0782?
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What is the minimum amount of 1731-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-0782
  • 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 1731-0782 available by request