6408-0155 Screening compound: 2-(4-bromophenyl)-6-ethoxy-3,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate

6408-0155 Screening compound: 2-(4-bromophenyl)-6-ethoxy-3,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
6408-0155 Screening compound: 2-(4-bromophenyl)-6-ethoxy-3,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0155
2-(4-bromophenyl)-6-ethoxy-3,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate

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

6408-0155

Molecular Formula

C21H24BrNO3 (C21 H24 BrNO3)

Compound Name

2-(4-bromophenyl)-6-ethoxy-3,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate

IUPAC name

2-(4-bromophenyl)-6-ethoxy-33-dimethyl-1234-tetrahydroquinolin-4-yl acetate

SMILES

CCOc(cc1)cc(C(C2(C)C)OC(C)=O)c1NC2c(cc1)ccc1Br

InChI

InChI=1S/C21H24BrNO3/c1-5-25-16-10-11-18-17(12-16)20(26-13(2)24)21(3,4)19(23-18)14-6-8-15(22)9-7-14/h6-12,19-20,23H,5H2,1-4H3

InChI Key

JTMJWQFQFQGGFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03014176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.713

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.48

Polar Surface Area

39.309

Acid Dissociation Constant (pKa)

19.20

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 6408-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0155?
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What is the minimum amount of 6408-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0155
  • 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 6408-0155 available by request