3879-6084 Screening compound: 2-(propan-2-yloxy)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3879-6084 Screening compound: 2-(propan-2-yloxy)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3879-6084 Screening compound: 2-(propan-2-yloxy)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3879-6084
2-(propan-2-yloxy)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

3879-6084

Molecular Formula

C26H36N2O4 (C26 H36 N2 O4)

Compound Name

2-(propan-2-yloxy)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(propan-2-yloxy)ethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCN(CC)c1ccc(C2C(C(CCC3)=O)=C3NC(C)=C2C(OCCOC(C)C)=O)cc1

InChI

InChI=1S/C26H36N2O4/c1-6-28(7-2)20-13-11-19(12-14-20)24-23(26(30)32-16-15-31-17(3)4)18(5)27-21-9-8-10-22(29)25(21)24/h11-14,17,24,27H,6-10,15-16H2,1-5H3/t24-/m0/s1

InChI Key

HMMYVALOEVGGHX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02188073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

0.053

Water Solubility, LogSw

-4.04

Polar Surface Area

54.906

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 3879-6084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3879-6084?
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What is the minimum amount of 3879-6084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3879-6084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3879-6084
  • 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 3879-6084 available by request