3014-4914 Screening compound: (oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3014-4914 Screening compound: (oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3014-4914 Screening compound: (oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4914
(oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-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

3014-4914

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

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

IUPAC name

(oxolan-2-yl)methyl 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(OCC1OCCC1)=O)C2=O

InChI

InChI=1S/C26H27NO6/c1-14-8-9-21-17(11-14)25(29)18(13-32-21)23-22(26(30)33-12-16-5-4-10-31-16)15(2)27-19-6-3-7-20(28)24(19)23/h8-9,11,13,16,23,27H,3-7,10,12H2,1-2H3

InChI Key

JEDNMHWFYJYRNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

-1.137

Water Solubility, LogSw

-3.47

Polar Surface Area

74.326

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

3014-4914 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

KRAS-Targeted Library (16000 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3014-4914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4914?
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What is the minimum amount of 3014-4914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4914
  • 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 3014-4914 available by request