8013-8849 Screening compound: cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8013-8849 Screening compound: cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8013-8849 Screening compound: cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8849
cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-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

8013-8849

Molecular Formula

C26H32N2O7 (C26 H32 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C2C(C(CCC3)=O)=C3NC(C)=C2C(OC2CCCCCC2)=O)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C26H32N2O7/c1-3-34-21-14-16(13-19(25(21)30)28(32)33)23-22(26(31)35-17-9-6-4-5-7-10-17)15(2)27-18-11-8-12-20(29)24(18)23/h13-14,17,23,27,30H,3-12H2,1-2H3/t23-/m0/s1

InChI Key

MJYMBMQDCSELKW-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.568

Distribution Coefficient, logD

1.672

Water Solubility, LogSw

-5.20

Polar Surface Area

100.106

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 8013-8849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8849?
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What is the minimum amount of 8013-8849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8849
  • 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 8013-8849 available by request