1716-1848 Screening compound: butyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1848 Screening compound: butyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1848 Screening compound: butyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1848
butyl 4-(2-butoxyphenyl)-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

1716-1848

Molecular Formula

C25H33NO4 (C25 H33 NO4)

Compound Name

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

IUPAC name

butyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCOC(C(C1c(cccc2)c2OCCCC)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C25H33NO4/c1-4-6-15-29-21-14-9-8-11-18(21)23-22(25(28)30-16-7-5-2)17(3)26-19-12-10-13-20(27)24(19)23/h8-9,11,14,23,26H,4-7,10,12-13,15-16H2,1-3H3/t23-/m0/s1

InChI Key

HAYQMNTZZQUFKX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00752995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.971

Distribution Coefficient, logD

2.075

Water Solubility, LogSw

-5.47

Polar Surface Area

52.473

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

1716-1848 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1716-1848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1848?
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What is the minimum amount of 1716-1848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1848
  • 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 1716-1848 available by request