2648-4221 Screening compound: 2-methoxyethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2648-4221 Screening compound: 2-methoxyethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2648-4221 Screening compound: 2-methoxyethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2648-4221
2-methoxyethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-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

2648-4221

Molecular Formula

C28H30ClNO6 (C28 H30 ClNO6)

Compound Name

2-methoxyethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-methoxyethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(cc(C1C(C(CC(C2)c(cc3)ccc3Cl)=O)=C2NC(C)=C1C(OCCOC)=O)cc1)c1O

InChI

InChI=1S/C28H30ClNO6/c1-4-35-24-15-18(7-10-22(24)31)26-25(28(33)36-12-11-34-3)16(2)30-21-13-19(14-23(32)27(21)26)17-5-8-20(29)9-6-17/h5-10,15,19,26,30-31H,4,11-14H2,1-3H3

InChI Key

LSXZHEXZKIFMEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

-0.032

Water Solubility, LogSw

-4.63

Polar Surface Area

76.798

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 2648-4221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2648-4221?
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What is the minimum amount of 2648-4221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2648-4221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2648-4221
  • 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 2648-4221 available by request