8015-3479 Screening compound: diethyl 2-amino-4-(3-chlorophenyl)-7-(3-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

8015-3479 Screening compound: diethyl 2-amino-4-(3-chlorophenyl)-7-(3-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
8015-3479 Screening compound: diethyl 2-amino-4-(3-chlorophenyl)-7-(3-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 8015-3479
diethyl 2-amino-4-(3-chlorophenyl)-7-(3-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

8015-3479

Molecular Formula

C35H32ClF3N2O6 (C35 H32 ClF3 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(CC1=C2C(c3cccc(Cl)c3)C(C(OCC)=O)=C(N)N1c1cc(C(F)(F)F)ccc1)c1cc(OC)ccc1)C2=O)=O

InChI

InChI=1S/C35H32ClF3N2O6/c1-4-46-33(43)28-25(19-9-7-14-24(16-19)45-3)18-26-29(31(28)42)27(20-10-6-12-22(36)15-20)30(34(44)47-5-2)32(40)41(26)23-13-8-11-21(17-23)35(37,38)39/h6-17,25,27-28H,4-5,18,40H2,1-3H3

InChI Key

YKPLFDHMTBDKTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

669.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.766

Distribution Coefficient, logD

6.766

Water Solubility, LogSw

-6.44

Polar Surface Area

83.999

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8015-3479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3479?
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What is the minimum amount of 8015-3479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3479
  • 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 8015-3479 available by request