2326-3219 Screening compound: prop-2-en-1-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2326-3219 Screening compound: prop-2-en-1-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2326-3219 Screening compound: prop-2-en-1-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3219
prop-2-en-1-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-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

2326-3219

Molecular Formula

C23H27NO4 (C23 H27 NO4)

Compound Name

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

IUPAC name

prop-2-en-1-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)Oc1c(C2C(C(CCC3)=O)=C3NC(C)=C2C(OCC=C)=O)cccc1

InChI

InChI=1S/C23H27NO4/c1-5-13-27-23(26)20-15(4)24-17-10-8-11-18(25)22(17)21(20)16-9-6-7-12-19(16)28-14(2)3/h5-7,9,12,14,21,24H,1,8,10-11,13H2,2-4H3/t21-/m0/s1

InChI Key

YLEJOHKQTBYRDW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00752990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

0.358

Water Solubility, LogSw

-4.32

Polar Surface Area

51.858

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

2326-3219 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 2326-3219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3219?
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What is the minimum amount of 2326-3219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3219
  • 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 2326-3219 available by request