5991-0015 Screening compound: cyclopentyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

5991-0015 Screening compound: cyclopentyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
5991-0015 Screening compound: cyclopentyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0015
cyclopentyl 2-methyl-4-(4-methylphenyl)-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

5991-0015

Molecular Formula

C23H27NO3 (C23 H27 NO3)

Compound Name

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

IUPAC name

cyclopentyl 2-methyl-4-(4-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

Cc1ccc(C2C(C(CCC3)=O)=C3NC(C)=C2C(OC2CCCC2)=O)cc1

InChI

InChI=1S/C23H27NO3/c1-14-10-12-16(13-11-14)21-20(23(26)27-17-6-3-4-7-17)15(2)24-18-8-5-9-19(25)22(18)21/h10-13,17,21,24H,3-9H2,1-2H3/t21-/m0/s1

InChI Key

MBMRHTHVACFMKN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00717854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

0.516

Water Solubility, LogSw

-4.40

Polar Surface Area

44.371

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

5991-0015 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 5991-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5991-0015?
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What is the minimum amount of 5991-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0015
  • 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 5991-0015 available by request