3004-4890 Screening compound: phenethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

3004-4890 Screening compound: phenethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
3004-4890 Screening compound: phenethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3004-4890
phenethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

3004-4890

Molecular Formula

C29H27NO5 (C29 H27 NO5)

Compound Name

phenethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

2-phenylethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

Cc(cc1)cc2c1OC=C(C1C(C(CCC3)=O)=C3NC(C)=C1C(OCCc1ccccc1)=O)C2=O

InChI

InChI=1S/C29H27NO5/c1-17-11-12-24-20(15-17)28(32)21(16-35-24)26-25(18(2)30-22-9-6-10-23(31)27(22)26)29(33)34-14-13-19-7-4-3-5-8-19/h3-5,7-8,11-12,15-16,26,30H,6,9-10,13-14H2,1-2H3/t26-/m0/s1

InChI Key

FLHLEHAWGWEDKB-SANMLTNESA-N

MDL Number (MFCD)

MFCD01824522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.879

Distribution Coefficient, logD

0.794

Water Solubility, LogSw

-4.73

Polar Surface Area

65.591

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.59

References: we are preparing a list of scientific research reports with 3004-4890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3004-4890?
Check Price and Availability of 3004-4890, 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 3004-4890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3004-4890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3004-4890
  • 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 3004-4890 available by request