8015-7912 Screening compound: diethyl 4-(2,3-dichlorophenyl)-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

8015-7912 Screening compound: diethyl 4-(2,3-dichlorophenyl)-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
8015-7912 Screening compound: diethyl 4-(2,3-dichlorophenyl)-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7912
diethyl 4-(2,3-dichlorophenyl)-5-oxo-2-propyl-7-(2-thienyl)-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

8015-7912

Molecular Formula

C28H29Cl2NO5S (C28 H29 Cl2 NO5 S)

Compound Name

diethyl 4-(2,3-dichlorophenyl)-5-oxo-2-propyl-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

IUPAC name

36-diethyl 4-(23-dichlorophenyl)-5-oxo-2-propyl-7-(thiophen-2-yl)-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCCC(NC(CC(C1C(OCC)=O)c2cccs2)=C(C2c3cccc(Cl)c3Cl)C1=O)=C2C(OCC)=O

InChI

InChI=1S/C28H29Cl2NO5S/c1-4-9-18-24(28(34)36-6-3)21(15-10-7-11-17(29)25(15)30)23-19(31-18)14-16(20-12-8-13-37-20)22(26(23)32)27(33)35-5-2/h7-8,10-13,16,21-22,31H,4-6,9,14H2,1-3H3

InChI Key

XXBRCQBGNVBHRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.948

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-6.52

Polar Surface Area

66.681

Acid Dissociation Constant (pKa)

3.03

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

39.29

8015-7912 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-7912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7912?
Check Price and Availability of 8015-7912, 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 8015-7912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7912
  • 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 8015-7912 available by request