2539-4029 Screening compound: cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2539-4029 Screening compound: cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2539-4029 Screening compound: cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2539-4029
cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-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

2539-4029

Molecular Formula

C36H37NO5 (C36 H37 NO5)

Compound Name

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

IUPAC name

cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c(cc3)cc(OC)c3OCc3ccccc3)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C36H37NO5/c1-23-33(36(39)42-28-15-9-10-16-28)34(35-29(37-23)19-27(20-30(35)38)25-13-7-4-8-14-25)26-17-18-31(32(21-26)40-2)41-22-24-11-5-3-6-12-24/h3-8,11-14,17-18,21,27-28,34,37H,9-10,15-16,19-20,22H2,1-2H3

InChI Key

NAVVCAFGVXOQBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.991

Distribution Coefficient, logD

2.510

Water Solubility, LogSw

-5.73

Polar Surface Area

59.044

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2539-4029 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 2539-4029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2539-4029?
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What is the minimum amount of 2539-4029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2539-4029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2539-4029
  • 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 2539-4029 available by request