2191-2740 Screening compound: cyclopentyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2191-2740 Screening compound: cyclopentyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2191-2740 Screening compound: cyclopentyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2191-2740
cyclopentyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-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

2191-2740

Molecular Formula

C24H27NO5 (C24 H27 NO5)

Compound Name

cyclopentyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclopentyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3)ccc3C(OC)=O)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C24H27NO5/c1-14-20(24(28)30-17-6-3-4-7-17)21(22-18(25-14)8-5-9-19(22)26)15-10-12-16(13-11-15)23(27)29-2/h10-13,17,21,25H,3-9H2,1-2H3/t21-/m0/s1

InChI Key

NGNQTQWXXVDCDN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00753202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

0.183

Water Solubility, LogSw

-4.42

Polar Surface Area

65.545

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

2191-2740 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 2191-2740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2191-2740?
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What is the minimum amount of 2191-2740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2191-2740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2191-2740
  • 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 2191-2740 available by request