5071-7763 Screening compound: 2-phenylethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

5071-7763 Screening compound: 2-phenylethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
5071-7763 Screening compound: 2-phenylethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5071-7763
2-phenylethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

5071-7763

Molecular Formula

C29H26FNO3S (C29 H26 FNO3 S)

Compound Name

2-phenylethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenylethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2cccs2)=C(C2c(cccc3)c3F)C1=O)=C2C(OCCc1ccccc1)=O

InChI

InChI=1S/C29H26FNO3S/c1-18-26(29(33)34-14-13-19-8-3-2-4-9-19)27(21-10-5-6-11-22(21)30)28-23(31-18)16-20(17-24(28)32)25-12-7-15-35-25/h2-12,15,20,27,31H,13-14,16-17H2,1H3

InChI Key

KMOCPHLVDWMVCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03312441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.375

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-5.55

Polar Surface Area

45.444

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

5071-7763 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5071-7763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5071-7763?
Check Price and Availability of 5071-7763, 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 5071-7763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5071-7763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5071-7763
  • 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 5071-7763 available by request