8012-2787 Screening compound: cyclopentyl 2-methyl-5-oxo-7-(2-thienyl)-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8012-2787 Screening compound: cyclopentyl 2-methyl-5-oxo-7-(2-thienyl)-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8012-2787 Screening compound: cyclopentyl 2-methyl-5-oxo-7-(2-thienyl)-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2787
cyclopentyl 2-methyl-5-oxo-7-(2-thienyl)-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-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

8012-2787

Molecular Formula

C29H33NO6S (C29 H33 NO6 S)

Compound Name

cyclopentyl 2-methyl-5-oxo-7-(2-thienyl)-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

cyclopentyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(234-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2cccs2)=C(C2c(ccc(OC)c3OC)c3OC)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C29H33NO6S/c1-16-24(29(32)36-18-8-5-6-9-18)25(19-11-12-22(33-2)28(35-4)27(19)34-3)26-20(30-16)14-17(15-21(26)31)23-10-7-13-37-23/h7,10-13,17-18,25,30H,5-6,8-9,14-15H2,1-4H3

InChI Key

FUMAORQPDZWLRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.409

Distribution Coefficient, logD

1.063

Water Solubility, LogSw

-5.39

Polar Surface Area

68.182

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.83

References: we are preparing a list of scientific research reports with 8012-2787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2787?
Check Price and Availability of 8012-2787, 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 8012-2787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2787
  • 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 8012-2787 available by request