1630-1468 Screening compound: butyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1468 Screening compound: butyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1468 Screening compound: butyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1468
butyl 4-(2H-1,3-benzodioxol-5-yl)-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

1630-1468

Molecular Formula

C22H25NO5 (C22 H25 NO5)

Compound Name

butyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

butyl 4-(2H-13-benzodioxol-5-yl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCOC(C(C1c(cc2)cc3c2OCO3)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H25NO5/c1-3-4-10-26-22(25)19-13(2)23-15-6-5-7-16(24)21(15)20(19)14-8-9-17-18(11-14)28-12-27-17/h8-9,11,20,23H,3-7,10,12H2,1-2H3/t20-/m0/s1

InChI Key

RVSQDUOWKDKKHJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00771090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.44

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

4.157

Distribution Coefficient, logD

0.261

Water Solubility, LogSw

-4.22

Polar Surface Area

62.085

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 1630-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1468?
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What is the minimum amount of 1630-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1468
  • 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 1630-1468 available by request