2398-3386 Screening compound: 2-methoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2398-3386 Screening compound: 2-methoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2398-3386 Screening compound: 2-methoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2398-3386
2-methoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-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

2398-3386

Molecular Formula

C30H35NO6 (C30 H35 NO6)

Compound Name

2-methoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-methoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOc(ccc(C1C(C(CC(C2)c3ccccc3)=O)=C2NC(C)=C1C(OCCOC)=O)c1)c1OC

InChI

InChI=1S/C30H35NO6/c1-5-13-36-25-12-11-21(18-26(25)35-4)28-27(30(33)37-15-14-34-3)19(2)31-23-16-22(17-24(32)29(23)28)20-9-7-6-8-10-20/h6-12,18,22,28,31H,5,13-17H2,1-4H3

InChI Key

BYXSVDKDONZYMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.779

Distribution Coefficient, logD

0.298

Water Solubility, LogSw

-4.67

Polar Surface Area

68.175

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 2398-3386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3386?
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What is the minimum amount of 2398-3386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3386
  • 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 2398-3386 available by request