3879-6049 Screening compound: 2-phenylethyl 2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3879-6049 Screening compound: 2-phenylethyl 2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3879-6049 Screening compound: 2-phenylethyl 2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3879-6049
2-phenylethyl 2-methyl-5-oxo-4-(2,4,5-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

3879-6049

Molecular Formula

C28H31NO6 (C28 H31 NO6)

Compound Name

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

IUPAC name

2-phenylethyl 2-methyl-5-oxo-4-(245-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc(c(OC)c3)OC)c3OC)C1=O)=C2C(OCCc1ccccc1)=O

InChI

InChI=1S/C28H31NO6/c1-17-25(28(31)35-14-13-18-9-6-5-7-10-18)26(27-20(29-17)11-8-12-21(27)30)19-15-23(33-3)24(34-4)16-22(19)32-2/h5-7,9-10,15-16,26,29H,8,11-14H2,1-4H3/t26-/m0/s1

InChI Key

SGKAJYGEPOFDAC-SANMLTNESA-N

MDL Number (MFCD)

MFCD02188039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.347

Distribution Coefficient, logD

0.451

Water Solubility, LogSw

-4.46

Polar Surface Area

67.589

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 3879-6049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3879-6049?
Check Price and Availability of 3879-6049, 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 3879-6049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3879-6049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3879-6049
  • 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 3879-6049 available by request