4060-0022 Screening compound: 1-(4-fluorobenzoyl)-2,8-dimethyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

4060-0022 Screening compound: 1-(4-fluorobenzoyl)-2,8-dimethyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
4060-0022 Screening compound: 1-(4-fluorobenzoyl)-2,8-dimethyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4060-0022
1-(4-fluorobenzoyl)-2,8-dimethyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

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

4060-0022

Molecular Formula

C25H25FN2O (C25 H25 FN2 O)

Compound Name

1-(4-fluorobenzoyl)-2,8-dimethyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

IUPAC name

1-(4-fluorobenzoyl)-28-dimethyl-N-(2-methylphenyl)-1234-tetrahydroquinolin-4-amine

SMILES

CC(CC1Nc2c(C)cccc2)N(C(c(cc2)ccc2F)=O)c2c1cccc2C

InChI

InChI=1S/C25H25FN2O/c1-16-7-4-5-10-22(16)27-23-15-18(3)28(24-17(2)8-6-9-21(23)24)25(29)19-11-13-20(26)14-12-19/h4-14,18,23,27H,15H2,1-3H3

InChI Key

SRJAUIRBOWAWFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.357

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.38

Polar Surface Area

25.107

Acid Dissociation Constant (pKa)

17.77

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

4060-0022 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4060-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4060-0022?
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What is the minimum amount of 4060-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4060-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4060-0022
  • 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 4060-0022 available by request