8015-5802 Screening compound: dimethyl 2-amino-1-(2-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

8015-5802 Screening compound: dimethyl 2-amino-1-(2-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
8015-5802 Screening compound: dimethyl 2-amino-1-(2-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5802
dimethyl 2-amino-1-(2-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-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

8015-5802

Molecular Formula

C31H26F2N2O5 (C31 H26 F2 N2 O5)

Compound Name

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

IUPAC name

36-dimethyl 2-amino-1-(2-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-145678-hexahydroquinoline-36-dicarboxylate

SMILES

COC(C(C(CC1=C2C(c(cc3)ccc3F)C(C(OC)=O)=C(N)N1c(cccc1)c1F)c1ccccc1)C2=O)=O

InChI

InChI=1S/C31H26F2N2O5/c1-39-30(37)25-20(17-8-4-3-5-9-17)16-23-26(28(25)36)24(18-12-14-19(32)15-13-18)27(31(38)40-2)29(34)35(23)22-11-7-6-10-21(22)33/h3-15,20,24-25H,16,34H2,1-2H3

InChI Key

PTBJKMYGZGXNBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05256945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.595

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-4.57

Polar Surface Area

76.994

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

19.35

References: we are preparing a list of scientific research reports with 8015-5802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5802?
Check Price and Availability of 8015-5802, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-5802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5802
  • 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 8015-5802 available by request