8015-8089 Screening compound: dimethyl 2-amino-4-(2-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

8015-8089 Screening compound: dimethyl 2-amino-4-(2-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
8015-8089 Screening compound: dimethyl 2-amino-4-(2-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8089
dimethyl 2-amino-4-(2-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

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

8015-8089

Molecular Formula

C33H28F4N2O6 (C33 H28 F4 N2 O6)

Compound Name

dimethyl 2-amino-4-(2-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

IUPAC name

36-dimethyl 2-amino-4-(2-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-36-dicarboxylate

SMILES

COC(C(C(CC1=C2C(c(cccc3)c3F)C(C(OC)=O)=C(N)N1c1cc(C(F)(F)F)ccc1)c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C33H28F4N2O6/c1-43-20-13-11-17(12-14-20)22-16-24-27(29(40)26(22)31(41)44-2)25(21-9-4-5-10-23(21)34)28(32(42)45-3)30(38)39(24)19-8-6-7-18(15-19)33(35,36)37/h4-15,22,25-26H,16,38H2,1-3H3

InChI Key

KNLOUNUTRYARCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.655

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-5.49

Polar Surface Area

84.839

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

24.24

References: we are preparing a list of scientific research reports with 8015-8089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8089?
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What is the minimum amount of 8015-8089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8089
  • 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 8015-8089 available by request