3490-5474 Screening compound: pentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3490-5474 Screening compound: pentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3490-5474 Screening compound: pentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3490-5474
pentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-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

3490-5474

Molecular Formula

C25H27NO5 (C25 H27 NO5)

Compound Name

pentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

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

SMILES

CCCCCOC(C(C1C2=COc(cccc3)c3C2=O)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C25H27NO5/c1-3-4-7-13-30-25(29)21-15(2)26-18-10-8-11-19(27)23(18)22(21)17-14-31-20-12-6-5-9-16(20)24(17)28/h5-6,9,12,14,22,26H,3-4,7-8,10-11,13H2,1-2H3/t22-/m0/s1

InChI Key

JMXOYGFQQPQNEQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01994638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

0.413

Water Solubility, LogSw

-4.58

Polar Surface Area

65.862

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 3490-5474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5474?
Check Price and Availability of 3490-5474, 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 3490-5474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5474
  • 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 3490-5474 available by request