2431-3865 Screening compound: 2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2431-3865 Screening compound: 2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2431-3865 Screening compound: 2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2431-3865
2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-2-yl)-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

2431-3865

Molecular Formula

C21H26N2O4 (C21 H26 N2 O4)

Compound Name

2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-methoxyethyl 277-trimethyl-5-oxo-4-(pyridin-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3ncccc3)C(OCCOC)=O)=C2C1=O

InChI

InChI=1S/C21H26N2O4/c1-13-17(20(25)27-10-9-26-4)19(14-7-5-6-8-22-14)18-15(23-13)11-21(2,3)12-16(18)24/h5-8,19,23H,9-12H2,1-4H3/t19-/m0/s1

InChI Key

LDVWJJUIDDKSJI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00753025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.657

Distribution Coefficient, logD

-2.782

Water Solubility, LogSw

-1.97

Polar Surface Area

62.359

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with 2431-3865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2431-3865?
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What is the minimum amount of 2431-3865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2431-3865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2431-3865
  • 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 2431-3865 available by request