8008-1225 Screening compound: ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8008-1225 Screening compound: ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8008-1225 Screening compound: ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1225
ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)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

8008-1225

Molecular Formula

C26H23F3N2O5 (C26 H23 F3 N2 O5)

Compound Name

ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 2-amino-4-(2H-13-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)C1=C2CCCC1=O)=C(N)N2c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C26H23F3N2O5/c1-2-34-25(33)23-21(14-10-11-19-20(12-14)36-13-35-19)22-17(8-5-9-18(22)32)31(24(23)30)16-7-4-3-6-15(16)26(27,28)29/h3-4,6-7,10-12,21H,2,5,8-9,13,30H2,1H3/t21-/m0/s1

InChI Key

ABWXFNVHSXENQC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01239700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.59

Polar Surface Area

72.889

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8008-1225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1225?
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What is the minimum amount of 8008-1225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1225
  • 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 8008-1225 available by request