5594-0128 Screening compound: 1-(4-methoxybenzoyl)-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

5594-0128 Screening compound: 1-(4-methoxybenzoyl)-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline
5594-0128 Screening compound: 1-(4-methoxybenzoyl)-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-0128
1-(4-methoxybenzoyl)-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

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

5594-0128

Molecular Formula

C26H27NO2 (C26 H27 NO2)

Compound Name

1-(4-methoxybenzoyl)-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(4-methoxybenzoyl)-224-trimethyl-4-phenyl-1234-tetrahydroquinoline

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(c(cc2)ccc2OC)=O)c2c1cccc2

InChI

InChI=1S/C26H27NO2/c1-25(2)18-26(3,20-10-6-5-7-11-20)22-12-8-9-13-23(22)27(25)24(28)19-14-16-21(29-4)17-15-19/h5-17H,18H2,1-4H3/t26-/m0/s1

InChI Key

UASNZFSRFTUSDM-SANMLTNESA-N

MDL Number (MFCD)

MFCD00621842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.497

Distribution Coefficient, logD

5.497

Water Solubility, LogSw

-5.57

Polar Surface Area

21.596

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

5594-0128 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5594-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-0128?
Check Price and Availability of 5594-0128, 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 5594-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-0128
  • 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 5594-0128 available by request