1630-1603 Screening compound: 2-methoxyethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1603 Screening compound: 2-methoxyethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1603 Screening compound: 2-methoxyethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1603
2-methoxyethyl 4-[2-(benzyloxy)phenyl]-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

1630-1603

Molecular Formula

C27H29NO5 (C27 H29 NO5)

Compound Name

2-methoxyethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-methoxyethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cccc3)c3OCc3ccccc3)C1=O)=C2C(OCCOC)=O

InChI

InChI=1S/C27H29NO5/c1-18-24(27(30)32-16-15-31-2)25(26-21(28-18)12-8-13-22(26)29)20-11-6-7-14-23(20)33-17-19-9-4-3-5-10-19/h3-7,9-11,14,25,28H,8,12-13,15-17H2,1-2H3/t25-/m0/s1

InChI Key

CGRVOJXJPKMGSW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00771119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

0.212

Water Solubility, LogSw

-4.62

Polar Surface Area

60.626

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

1630-1603 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1603?
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What is the minimum amount of 1630-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1603
  • 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 1630-1603 available by request