1630-0897 Screening compound: ethyl 4-(4-chlorophenyl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0897 Screening compound: ethyl 4-(4-chlorophenyl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0897 Screening compound: ethyl 4-(4-chlorophenyl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0897
ethyl 4-(4-chlorophenyl)-2-ethyl-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

1630-0897

Molecular Formula

C20H22ClNO3 (C20 H22 ClNO3)

Compound Name

ethyl 4-(4-chlorophenyl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 4-(4-chlorophenyl)-2-ethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCC(NC(CCC1)=C(C2c(cc3)ccc3Cl)C1=O)=C2C(OCC)=O

InChI

InChI=1S/C20H22ClNO3/c1-3-14-19(20(24)25-4-2)17(12-8-10-13(21)11-9-12)18-15(22-14)6-5-7-16(18)23/h8-11,17,22H,3-7H2,1-2H3/t17-/m1/s1

InChI Key

AMYULXAEKAUHOY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00619535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

0.220

Water Solubility, LogSw

-4.90

Polar Surface Area

45.282

Acid Dissociation Constant (pKa)

3.25

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 1630-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0897?
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What is the minimum amount of 1630-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0897
  • 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 1630-0897 available by request