2827-4583 Screening compound: 2-ethoxyethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2827-4583 Screening compound: 2-ethoxyethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2827-4583 Screening compound: 2-ethoxyethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2827-4583
2-ethoxyethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-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

2827-4583

Molecular Formula

C28H27Cl2NO6 (C28 H27 Cl2 NO6)

Compound Name

2-ethoxyethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-ethoxyethyl 4-(6-chloro-2H-13-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOCCOC(C(C1c(cc2OCOc2c2)c2Cl)=C(C)NC(CC(C2)c(cc3)ccc3Cl)=C1C2=O)=O

InChI

InChI=1S/C28H27Cl2NO6/c1-3-34-8-9-35-28(33)25-15(2)31-21-10-17(16-4-6-18(29)7-5-16)11-22(32)27(21)26(25)19-12-23-24(13-20(19)30)37-14-36-23/h4-7,12-13,17,26,31H,3,8-11,14H2,1-2H3

InChI Key

UPLMTDUXUSLCSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.934

Distribution Coefficient, logD

1.616

Water Solubility, LogSw

-6.29

Polar Surface Area

69.790

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

2827-4583 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2827-4583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2827-4583?
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What is the minimum amount of 2827-4583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2827-4583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2827-4583
  • 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 2827-4583 available by request