4223-6953 Screening compound: 2-methoxyethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4223-6953 Screening compound: 2-methoxyethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4223-6953 Screening compound: 2-methoxyethyl 7-(3,4-dimethoxyphenyl)-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 4223-6953
2-methoxyethyl 7-(3,4-dimethoxyphenyl)-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

4223-6953

Molecular Formula

C28H30N2O8 (C28 H30 N2 O8)

Compound Name

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

IUPAC name

2-methoxyethyl 7-(34-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)cc(OC)c2OC)=C(C2c(cc3)ccc3[N+]([O-])=O)C1=O)=C2C(OCCOC)=O

InChI

InChI=1S/C28H30N2O8/c1-16-25(28(32)38-12-11-35-2)26(17-5-8-20(9-6-17)30(33)34)27-21(29-16)13-19(14-22(27)31)18-7-10-23(36-3)24(15-18)37-4/h5-10,15,19,26,29H,11-14H2,1-4H3

InChI Key

CCCZMLVFKGSADP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

-0.961

Water Solubility, LogSw

-3.70

Polar Surface Area

101.682

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 4223-6953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-6953?
Check Price and Availability of 4223-6953, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4223-6953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-6953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-6953
  • 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 4223-6953 available by request