4568-7324 Screening compound: cyclopentyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4568-7324 Screening compound: cyclopentyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4568-7324 Screening compound: cyclopentyl 4-(4-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 4568-7324
cyclopentyl 4-(4-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

4568-7324

Molecular Formula

C26H26FNO3S (C26 H26 FNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC(C1)c2cccs2)=C(C2c(cc3)ccc3F)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C26H26FNO3S/c1-15-23(26(30)31-19-5-2-3-6-19)24(16-8-10-18(27)11-9-16)25-20(28-15)13-17(14-21(25)29)22-7-4-12-32-22/h4,7-12,17,19,24,28H,2-3,5-6,13-14H2,1H3

InChI Key

PGLJDOIQSCETFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03370920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.361

Distribution Coefficient, logD

1.015

Water Solubility, LogSw

-5.34

Polar Surface Area

45.118

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

4568-7324 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 4568-7324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4568-7324?
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What is the minimum amount of 4568-7324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4568-7324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4568-7324
  • 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 4568-7324 available by request