8013-8861 Screening compound: cycloheptyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8013-8861 Screening compound: cycloheptyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8013-8861 Screening compound: cycloheptyl 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 8013-8861
cycloheptyl 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

8013-8861

Molecular Formula

C28H31NO5 (C28 H31 NO5)

Compound Name

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

IUPAC name

cycloheptyl 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(OC1CCCCCC1)=O)C2=O

InChI

InChI=1S/C28H31NO5/c1-16-12-13-23-19(14-16)27(31)20(15-33-23)25-24(28(32)34-18-8-5-3-4-6-9-18)17(2)29-21-10-7-11-22(30)26(21)25/h12-15,18,25,29H,3-11H2,1-2H3/t25-/m0/s1

InChI Key

MYFSFYVVTAKBFA-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

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

5.425

Distribution Coefficient, logD

1.340

Water Solubility, LogSw

-5.28

Polar Surface Area

65.229

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with 8013-8861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8861?
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What is the minimum amount of 8013-8861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8861
  • 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 8013-8861 available by request