2398-3663 Screening compound: (oxolan-2-yl)methyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2398-3663 Screening compound: (oxolan-2-yl)methyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2398-3663 Screening compound: (oxolan-2-yl)methyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2398-3663
(oxolan-2-yl)methyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-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

2398-3663

Molecular Formula

C25H31NO7 (C25 H31 NO7)

Compound Name

(oxolan-2-yl)methyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

(oxolan-2-yl)methyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3)cc(OC)c3OCCO)C1=O)=C2C(OCC1OCCC1)=O

InChI

InChI=1S/C25H31NO7/c1-15-22(25(29)33-14-17-5-4-11-31-17)23(24-18(26-15)6-3-7-19(24)28)16-8-9-20(32-12-10-27)21(13-16)30-2/h8-9,13,17,23,26-27H,3-7,10-12,14H2,1-2H3

InChI Key

LRYUECRPERKQGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.490

Distribution Coefficient, logD

-2.405

Water Solubility, LogSw

-1.91

Polar Surface Area

85.224

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with 2398-3663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3663?
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What is the minimum amount of 2398-3663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3663
  • 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 2398-3663 available by request