8016-8846 Screening compound: ethyl 1-(2,4-difluorophenyl)-2,5-dioxo-7-(2-thienyl)-4-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate

8016-8846 Screening compound: ethyl 1-(2,4-difluorophenyl)-2,5-dioxo-7-(2-thienyl)-4-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate
8016-8846 Screening compound: ethyl 1-(2,4-difluorophenyl)-2,5-dioxo-7-(2-thienyl)-4-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8846
ethyl 1-(2,4-difluorophenyl)-2,5-dioxo-7-(2-thienyl)-4-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate

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

8016-8846

Molecular Formula

C31H29F2NO7S (C31 H29 F2 NO7 S)

Compound Name

ethyl 1-(2,4-difluorophenyl)-2,5-dioxo-7-(2-thienyl)-4-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate

IUPAC name

ethyl 1-(24-difluorophenyl)-25-dioxo-7-(thiophen-2-yl)-4-(345-trimethoxyphenyl)-12345678-octahydroquinoline-6-carboxylate

SMILES

CCOC(C(C(CC(N(C(C1)=O)c(ccc(F)c2)c2F)=C2C1c(cc1OC)cc(OC)c1OC)c1cccs1)C2=O)=O

InChI

InChI=1S/C31H29F2NO7S/c1-5-41-31(37)28-19(25-7-6-10-42-25)14-22-27(29(28)36)18(16-11-23(38-2)30(40-4)24(12-16)39-3)15-26(35)34(22)21-9-8-17(32)13-20(21)33/h6-13,18-19,28H,5,14-15H2,1-4H3

InChI Key

ISIAAVCDCSSISB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.29

Polar Surface Area

72.662

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

32.26

References: we are preparing a list of scientific research reports with 8016-8846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8846?
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What is the minimum amount of 8016-8846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8846
  • 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 8016-8846 available by request