8007-3049 Screening compound: ethyl 2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8007-3049 Screening compound: ethyl 2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8007-3049 Screening compound: ethyl 2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3049
ethyl 2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

8007-3049

Molecular Formula

C24H23N3O5 (C24 H23 N3 O5)

Compound Name

ethyl 2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

ethyl 2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C(c1ccccc1)C1=C2CCCC1=O)=C(N)N2c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C24H23N3O5/c1-2-32-24(29)22-20(15-7-4-3-5-8-15)21-18(9-6-10-19(21)28)26(23(22)25)16-11-13-17(14-12-16)27(30)31/h3-5,7-8,11-14,20H,2,6,9-10,25H2,1H3/t20-/m0/s1

InChI Key

YFCSSEPXRVPHBZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01113837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.81

Polar Surface Area

89.456

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8007-3049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3049?
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What is the minimum amount of 8007-3049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3049
  • 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 8007-3049 available by request