2576-4136 Screening compound: cyclohexyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2576-4136 Screening compound: cyclohexyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2576-4136 Screening compound: cyclohexyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2576-4136
cyclohexyl 4,7-bis(4-methoxyphenyl)-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

2576-4136

Molecular Formula

C31H35NO5 (C31 H35 NO5)

Compound Name

cyclohexyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 47-bis(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)ccc2OC)=C(C2c(cc3)ccc3OC)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C31H35NO5/c1-19-28(31(34)37-25-7-5-4-6-8-25)29(21-11-15-24(36-3)16-12-21)30-26(32-19)17-22(18-27(30)33)20-9-13-23(35-2)14-10-20/h9-16,22,25,29,32H,4-8,17-18H2,1-3H3

InChI Key

FJZSFPXLVUJBAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.62

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

6.544

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-5.68

Polar Surface Area

58.821

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.90

2576-4136 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 2576-4136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2576-4136?
Check Price and Availability of 2576-4136, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2576-4136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2576-4136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2576-4136
  • 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 2576-4136 available by request