8013-7094 Screening compound: cycloheptyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8013-7094 Screening compound: cycloheptyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8013-7094 Screening compound: cycloheptyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7094
cycloheptyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-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

8013-7094

Molecular Formula

C27H35NO6 (C27 H35 NO6)

Compound Name

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

IUPAC name

cycloheptyl 2-methyl-5-oxo-4-(345-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3OC)cc(OC)c3OC)C1=O)=C2C(OC1CCCCCC1)=O

InChI

InChI=1S/C27H35NO6/c1-16-23(27(30)34-18-10-7-5-6-8-11-18)24(25-19(28-16)12-9-13-20(25)29)17-14-21(31-2)26(33-4)22(15-17)32-3/h14-15,18,24,28H,5-13H2,1-4H3/t24-/m0/s1

InChI Key

WLLFJJGWTWKWDV-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.071

Distribution Coefficient, logD

1.176

Water Solubility, LogSw

-4.67

Polar Surface Area

67.314

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with 8013-7094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7094?
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What is the minimum amount of 8013-7094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7094
  • 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 8013-7094 available by request