4157-0446 Screening compound: 1-(3-chlorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl benzoate

4157-0446 Screening compound: 1-(3-chlorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl benzoate
4157-0446 Screening compound: 1-(3-chlorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-0446
1-(3-chlorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl benzoate

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

4157-0446

Molecular Formula

C26H22ClNO3 (C26 H22 ClNO3)

Compound Name

1-(3-chlorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl benzoate

IUPAC name

1-(3-chlorobenzoyl)-224-trimethyl-12-dihydroquinolin-6-yl benzoate

SMILES

CC1(C)N(C(c2cccc(Cl)c2)=O)c(ccc(OC(c2ccccc2)=O)c2)c2C(C)=C1

InChI

InChI=1S/C26H22ClNO3/c1-17-16-26(2,3)28(24(29)19-10-7-11-20(27)14-19)23-13-12-21(15-22(17)23)31-25(30)18-8-5-4-6-9-18/h4-16H,1-3H3

InChI Key

OPBGRCLVGYOABZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.114

Distribution Coefficient, logD

6.114

Water Solubility, LogSw

-6.00

Polar Surface Area

34.702

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4157-0446 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4157-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-0446?
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What is the minimum amount of 4157-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-0446
  • 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 4157-0446 available by request