3807-5846 Screening compound: 1-(3-fluorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-fluorobenzoate

3807-5846 Screening compound: 1-(3-fluorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-fluorobenzoate
3807-5846 Screening compound: 1-(3-fluorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-5846
1-(3-fluorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-fluorobenzoate

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

3807-5846

Molecular Formula

C26H21F2NO3 (C26 H21 F2 NO3)

Compound Name

1-(3-fluorobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-fluorobenzoate

IUPAC name

1-(3-fluorobenzoyl)-224-trimethyl-12-dihydroquinolin-6-yl 3-fluorobenzoate

SMILES

CC1(C)N(C(c2cc(F)ccc2)=O)c(ccc(OC(c2cccc(F)c2)=O)c2)c2C(C)=C1

InChI

InChI=1S/C26H21F2NO3/c1-16-15-26(2,3)29(24(30)17-6-4-8-19(27)12-17)23-11-10-21(14-22(16)23)32-25(31)18-7-5-9-20(28)13-18/h4-15H,1-3H3

InChI Key

FSXJEHLHBLDONX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01562968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.45

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

5.681

Distribution Coefficient, logD

5.681

Water Solubility, LogSw

-5.62

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

3807-5846 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 3807-5846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-5846?
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What is the minimum amount of 3807-5846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-5846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-5846
  • 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 3807-5846 available by request