1716-1838 Screening compound: benzyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1838 Screening compound: benzyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1838 Screening compound: benzyl 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 1716-1838
benzyl 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

1716-1838

Molecular Formula

C27H29NO6 (C27 H29 NO6)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CCC1)=C(C2c(cc3OC)cc(OC)c3OC)C1=O)=C2C(OCc1ccccc1)=O

InChI

InChI=1S/C27H29NO6/c1-16-23(27(30)34-15-17-9-6-5-7-10-17)24(25-19(28-16)11-8-12-20(25)29)18-13-21(31-2)26(33-4)22(14-18)32-3/h5-7,9-10,13-14,24,28H,8,11-12,15H2,1-4H3/t24-/m0/s1

InChI Key

REVYTAOBDZWCHK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00753102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

0.453

Water Solubility, LogSw

-4.57

Polar Surface Area

67.757

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1716-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1838?
Check Price and Availability of 1716-1838, 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 1716-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1838
  • 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 1716-1838 available by request