8013-7009 Screening compound: cycloheptyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8013-7009 Screening compound: cycloheptyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8013-7009 Screening compound: cycloheptyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7009
cycloheptyl 2-methyl-4-(4-nitrophenyl)-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

8013-7009

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

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

IUPAC name

cycloheptyl 2-methyl-4-(4-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3)ccc3[N+]([O-])=O)C1=O)=C2C(OC1CCCCCC1)=O

InChI

InChI=1S/C24H28N2O5/c1-15-21(24(28)31-18-7-4-2-3-5-8-18)22(16-11-13-17(14-12-16)26(29)30)23-19(25-15)9-6-10-20(23)27/h11-14,18,22,25H,2-10H2,1H3/t22-/m0/s1

InChI Key

GRRVCBZWPAXGMS-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

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

5.198

Distribution Coefficient, logD

1.302

Water Solubility, LogSw

-5.15

Polar Surface Area

77.718

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8013-7009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7009?
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What is the minimum amount of 8013-7009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7009
  • 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 8013-7009 available by request