5750-0042 Screening compound: 2,2,2-trichloro-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-ol

5750-0042 Screening compound: 2,2,2-trichloro-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-ol
5750-0042 Screening compound: 2,2,2-trichloro-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-0042
2,2,2-trichloro-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-ol

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

5750-0042

Molecular Formula

C14H16Cl3NO (C14 H16 Cl3 NO)

Compound Name

2,2,2-trichloro-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-ol

IUPAC name

222-trichloro-1-(224-trimethyl-12-dihydroquinolin-1-yl)ethan-1-ol

SMILES

CC1(C)N(C(C(Cl)(Cl)Cl)O)c(cccc2)c2C(C)=C1

InChI

InChI=1S/C14H16Cl3NO/c1-9-8-13(2,3)18(12(19)14(15,16)17)11-7-5-4-6-10(9)11/h4-8,12,19H,1-3H3/t12-/m0/s1

InChI Key

YMLNQLYJTIAVAD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00193054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.65

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.385

Water Solubility, LogSw

-4.28

Polar Surface Area

18.752

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

5750-0042 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Glucocorticoid receptors Library (4806 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5750-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-0042?
Check Price and Availability of 5750-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5750-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-0042
  • 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 5750-0042 available by request