4223-6797 Screening compound: cyclopentyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4223-6797 Screening compound: cyclopentyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4223-6797 Screening compound: cyclopentyl 4-(2,5-dimethoxyphenyl)-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 4223-6797
cyclopentyl 4-(2,5-dimethoxyphenyl)-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

4223-6797

Molecular Formula

C28H31NO5S (C28 H31 NO5 S)

Compound Name

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

IUPAC name

cyclopentyl 4-(25-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2cccs2)=C(C2c(cc(cc3)OC)c3OC)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C28H31NO5S/c1-16-25(28(31)34-18-7-4-5-8-18)26(20-15-19(32-2)10-11-23(20)33-3)27-21(29-16)13-17(14-22(27)30)24-9-6-12-35-24/h6,9-12,15,17-18,26,29H,4-5,7-8,13-14H2,1-3H3

InChI Key

JUGMOJUSEPIIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.681

Distribution Coefficient, logD

1.336

Water Solubility, LogSw

-5.44

Polar Surface Area

60.292

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

4223-6797 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 4223-6797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-6797?
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What is the minimum amount of 4223-6797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-6797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-6797
  • 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 4223-6797 available by request