5868-0310 Screening compound: 2-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate

5868-0310 Screening compound: 2-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
5868-0310 Screening compound: 2-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5868-0310
2-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3,6-trimethyl-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

5868-0310

Molecular Formula

C29H32ClNO4 (C29 H32 ClNO4)

Compound Name

2-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate

IUPAC name

2-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-336-trimethyl-1234-tetrahydroquinolin-4-yl acetate

SMILES

CCOc(cccc1C(C(C)(C)C2OC(C)=O)Nc3c2cc(C)cc3)c1OCc(cccc1)c1Cl

InChI

InChI=1S/C29H32ClNO4/c1-6-33-25-13-9-11-21(26(25)34-17-20-10-7-8-12-23(20)30)27-29(4,5)28(35-19(3)32)22-16-18(2)14-15-24(22)31-27/h7-16,27-28,31H,6,17H2,1-5H3

InChI Key

PYOFFVNQBIRJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.363

Distribution Coefficient, logD

7.363

Water Solubility, LogSw

-6.36

Polar Surface Area

46.797

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 5868-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5868-0310?
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What is the minimum amount of 5868-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5868-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5868-0310
  • 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 5868-0310 available by request