3014-4920 Screening compound: cyclopentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3014-4920 Screening compound: cyclopentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3014-4920 Screening compound: cyclopentyl 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 3014-4920
cyclopentyl 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

3014-4920

Molecular Formula

C25H25NO5 (C25 H25 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CCC1)=C(C2C3=COc(cccc4)c4C3=O)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C25H25NO5/c1-14-21(25(29)31-15-7-2-3-8-15)22(23-18(26-14)10-6-11-19(23)27)17-13-30-20-12-5-4-9-16(20)24(17)28/h4-5,9,12-13,15,22,26H,2-3,6-8,10-11H2,1H3/t22-/m0/s1

InChI Key

AZAXMERSNJHICW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01825074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

-0.352

Water Solubility, LogSw

-4.24

Polar Surface Area

65.264

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

3014-4920 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3014-4920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4920?
Check Price and Availability of 3014-4920, 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 3014-4920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4920
  • 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 3014-4920 available by request