5991-0362 Screening compound: 2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

5991-0362 Screening compound: 2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
5991-0362 Screening compound: 2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0362
2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-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

5991-0362

Molecular Formula

C27H31NO5S (C27 H31 NO5 S)

Compound Name

2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OCCOC(C(C1c2cccs2)=C(C)NC(CC(C2)c(cccc3)c3OC)=C1C2=O)=O

InChI

InChI=1S/C27H31NO5S/c1-16(2)32-11-12-33-27(30)24-17(3)28-20-14-18(19-8-5-6-9-22(19)31-4)15-21(29)25(20)26(24)23-10-7-13-34-23/h5-10,13,16,18,26,28H,11-12,14-15H2,1-4H3

InChI Key

JDZBMXGBJWSMSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.61

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

4.800

Distribution Coefficient, logD

0.167

Water Solubility, LogSw

-4.59

Polar Surface Area

60.547

Acid Dissociation Constant (pKa)

2.77

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with 5991-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5991-0362?
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What is the minimum amount of 5991-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0362
  • 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 5991-0362 available by request