2191-2784 Screening compound: 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2191-2784 Screening compound: 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2191-2784 Screening compound: 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2191-2784
2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-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

2191-2784

Molecular Formula

C30H35NO5 (C30 H35 NO5)

Compound Name

2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenoxyethyl 277-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)Oc1c(C2C(C(CC(C)(C)C3)=O)=C3NC(C)=C2C(OCCOc2ccccc2)=O)cccc1

InChI

InChI=1S/C30H35NO5/c1-19(2)36-25-14-10-9-13-22(25)27-26(29(33)35-16-15-34-21-11-7-6-8-12-21)20(3)31-23-17-30(4,5)18-24(32)28(23)27/h6-14,19,27,31H,15-18H2,1-5H3/t27-/m0/s1

InChI Key

JKFCLRGOTYEJLZ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01306173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.61

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

5.586

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-5.52

Polar Surface Area

59.005

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 2191-2784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2191-2784?
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What is the minimum amount of 2191-2784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2191-2784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2191-2784
  • 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 2191-2784 available by request